ApPENDIX A

LEGENDRE POLYNOMIALS, ASSOCIATED

LEGENDRE FUNCTIONS AND SPHERICAL
HARMONICS

AI. LEGENDRE POLYNOMIALS

Let x be a real variable such that -1 ~ x ~ 1. We may also set x = cos B,

where B is a real number. The polynomials of degree l

1 d1 2 I
Pl(X)=2 11!dx 1 (x -1), l=0,1,2, ... (AI)

are known as the Legendre polynomials. An equivalent defmition of Pz (x) can

be given in terms of a generating function, namely

+ s2)-1/2 = L
00

(1 - 2xs Pl(X )sl, lsi < 1 . (A2)

1=0

The Legendre polynomials satisfy the differential equation

[(1- x2) dx
d2
2
- 2x~ + l(l + 1)] PI(X) = 0 (A3)
dx

We have the recurrence relations

(21 + l)XPI - (I + 1)Pl+1 - IPl-1 = 0 , (A4a)

2 dPI
(x - 1 ) -
dx
= l(xPI - Pl-d = l(l2l +
+1
1)
(PI+! - Pl-d (A4b)

which are also valid for the case I = 0 if one defmes P -1 = O.

The orthogonality relations are
+1
j Pl(x)Pdx)dX = _2_D!!'
21 + 1
(A5)
-1

203
204 ApPENDIX A

and the closure relation is given by

~ f(21 + 1)PI(X)PI(X' ) = 8(x - x') (A. 6)

1=0

The Legendre polynomial PI (x) has the parity ( - ) I and has 1 zeros in the
interval (-1, + 1). Furthermore,

(A. 7)

For the lowest values of 1 the Legendre polynomials are given explicitly by

Po(x) = 1 ,
Pl(X) = x ,
1 2
P2(X) = 2(3x - 1) ,
1 3 (A. 8)
P3(X) = 2(5x - 3x) ,
142
P4(X) = S(35x - 30x + 3) ,
153
P5(X) = s(63x - 70x + 15x)

A.2. ASSOCIATED LEGENDRE FUNCTIONS

The associated Legendre functions Pt' (x) are defined by the relations

They are the product of the function (1 - x2)m/2 and of a polynomial of degree
(I - m) and parity (- )I-m, having (l - m) zeros in the interval (-1, +1). The
functions pr(x) can also be obtained from a generating function, namely

L
oc
(2m - 1)!!(1- x2)m/2sm(1_ 2xs + s2)-m-l/2 = pr(x)sl,
I=m (A. 10)

with
(2m - 1)]] = 1.3.5 ... (2m - 1), m = 1,2, ...
(A.ll)
= 1, m = 0
LEGENDRE POLYNOMIALS 205

In particular, we have

Pp(x) = Pl(X) , (A. 12)

p/(X) = (2l- 1)!!(1- x 2)1/2. (A. 13)

The associated Legendre functions satisfy the differential equation

[(1- x2) dx
2
d -
2
2x~
dx
+ lO + 1) - ~]
1 - x2
pr(x) = 0 (A. 14)

We also have the recurrence relations

(2l + l)xpr - (l- m + I)Pl~l - (l + m)P[!:'l = 0 , (A. 15)

dpm
(x 2 - 1)_1_ = -(l + l)xpr + 0- m + I)Pl~l
dx
= lxpr -0 + m)P!'!:.l' 0 ~ m ~ l- 1 , (A. 16)

P 1m+2 - 2(m + 1) (1- :2)l/2 Plm+1 + (l- m)(l + m + I)Pt = 0 ,

,
0~m~l-2 (A.17)
P/'!:.l - Pl~l = -(2l + 1)(1- x )1/2pr-1,
2 0~ m ~ l-1 (A. 18)

and the orthogonality relations

J
+1
m() m( ) 2 (l + m)! (A. 19)
PI x PI' x dx = -2- ( ),611'.
l+1 l-m.
-1

Inlportant particular values are

pr(1) = pr(-I) = 0, m =f. 0 (A.20)
[for m = 0, see eq. (A.7)] and

m( ) __ (_)8 (28 + 2m)!

PI 0 218! (8 + m)! ' l - m = 28 (A. 2 I)
= 0, l-m=28+1
The first few associated Legendre functions are given by
Pf(x)=(I-x 2)1/2 ,
pi(x) = 3(1- x 2)1/2x ,
P?(x)=3(I-x 2) ,
(A.22)
pi(x) = ~(1- x 2)1/2(5x 2 - 1) ,
pl(x) = 15x(1- x 2 ) ,

pl(x) = 15(1- x 2)3/2 .

206 APPENDIX A

A.3. ORBITAL ANGULAR MOMENTUM AND SPHERICAL

HARMONICS

In classical mechanics the orbital angular momentum of a particle is given

by
l=rxp (A.23)

where r and p are the position and momentum vectors of the particle, respec-
tively. In wave mechanics p is represented by the operator -iV (with h = 1)
so that l is represented by the operator -i(r x V). The Cartesian components
of l are therefore given by

lx = ypz - ZPy = - i (y!..... - z!.....)

8z 8y

ly = ZPx - xpz = -i (z!..... - x!.....) (A.24)

8x 8z

lz = XPy - YPx = -i (x!.....

8y
- y!.....)
8x

Using the rules of commutator algebra, together with the basic commutation
relations
[x,Px] = [Y,Py] = [z,Pz] = i (A.25)
we fmd that the operators lx, ly and lz satisty the characteristic commutation
relations of angular momenta, namely

(A.26)

Thus the three operators lx, ly,lz do not mutually commute. However, if we
consider the operator
l2 = l2x + l2y + l2z (A.27)

we readily fmd that each of the operators lx, ly and lz commutes with l2,

(A.28)

As a result, it is always possible to construct simultaneous eigenfunctions of l2

and one component of l, which we shall choose to be lz.
Let us use spherical polar coordinates (T, (}, 4> ), with

x = T sin (} cos 4> ,

y = T sin (} sin 4> , (A.29)
Z = TCOS(} •
LEGENDRE POLYNOMIALS 207

We then have

. {j {j)
Ix = i ( Sill ¢ {j() + cot () cos ¢ {j¢ (A.30a)

ly =i ( - cos ¢~
{j()
+ cot () sin ¢~)
{j¢
(A.30b)

{j
I
Z
= -i-
{j¢
(A.30c)

and
12 = - [1
--- {j
sin () {j()
(SIll()-
. {j )
{j()
+- 1
- -{j2] -
sin 2 () {j¢2
(A.31)

The spherical harmonics Ylm ((), ¢) are simultaneous eigenfunctions of the

operators 12 and lz. That is (with 1i = 1)

1= 0, 1,2, ... (A. 32)

m = -I, -I + 1, ... , I (A.33)

They are given by

m [(21 + 1)(1 - m)!] 1/2 m

Ylm((),¢) = (-1) 4 ( )' PI (cos())exp(im¢),
7r1+m. (A. 34a)

m:::: °
(A. 34b)
and have the parity (- )1. Hence, in a reflection about the origin such that
( (), ¢) -+ (7r - (), ¢ + 7r ), we have

(A.35)

The spherical harmonics satisfy the orthononnality relations

J JJ
211" 11"

Yz'':m'((),¢)Ylm((),¢)dfl= d¢ d()sin()Yz":m'((),¢)Ylm((),¢)
(A.36)
o 0
= 811'8 mm ,
where we have written do' = sin ()d()d¢. The closure relation for the Ylm is

+1
L L
(Xl

YI;",,((), ¢ )Ylm(()', ¢') = 8(0,- 0,') (A.37a)

1=0 m=-I
208 APPENDIX A

with
6(0 _ 0') = 6(0 - 0'!6(</> - </>') (A.37b)
smO
The spherical harmonics constitute a complete orthonormal set of functions on
the unit sphere.
The Yl m also satisfy recurrence relations. Introducing the operators

l± = Ix ± ily = exp(±i</» (±~

80
+ i cot O~)
8</>
(A.38)

we have

I±Ylm = [1(1 + 1) - m(m ± 1)]1/2Y1 ,m±1 , (A.39a)

= [(I =t= m)(l + 1 ± m)F/2 Y1 ,m±1 , (A. 39b)
I+Yl,1 =0 , (A.39c)
LY1,-1 =0 (A.39d)

and also

[ (l + 1 + m)(I + 1 - m)] 1/2

cos 0 Yl m = (21 + 1 )(21 + 3) Yl+1,m
(A.40)
(I+m)U- m )]1/2
[
+ (21 + 1)(21- 1) Yl-1,m.

For m = 0 and m = I the spherical harmonics are given by the simple

expressions

Yl 0(0, </» = ( - -
,
21 +
471'
1) 1/2
PI (cos 0) (A.41)

and

21+1 (21)! ]1/2

Yl,I(O,</» = (_l)l [~ 22l(I!)2 sinIOexp(il</». (A. 42)

It should be noted that the equations (A.32),(A.33) and (A.36) determine the
functions Yl m (0, </» only up to a phase. Since different phase factor conventions
exist in the literature, it is important to carefully check this point in dealing with
the functions Yl m used by various authors. The phase of the Yl m is chosen here
so that:
1) the functions Yl m verify the recurrence relations (A.39)
2) Yl,O (0 = 0) is real and positive.
LEGENDRE POLYNOMIALS 209

The first few spherical hannonics are given by

Yoo = (47r)-1/2 ,
3 ) 1/2
Y10 = ( - cos8,
, 47r
3 ) 1/2
Y1,±1==f ( 87r sin8exp(±i¢),

5 ) 1/2
Y2,O = ( 167r (3cos 2 8 - 1) ,

15) 1/2
Y2 ,±1 = =f ( -87r sin 8 cos 8 exp(±i¢) ,

15 ) 1/2 (A.43)
Y2,±2 = ( 327r sin 2 8 exp(±2i¢)

7 ) 1/2
Y3,O = ( 167r (5cos 3 8 - 3cos8) ,

21 ) 1/2
Y3,±1 = =f ( 647r sin 8(5 cos 2 8 - 1) exp(±i¢)

105)1/2
Y3 ±2 = ( - sin 2 8 cos 8 exp(±2i¢) ,
, 327r
35 ) 1/2
Y3,±3 = =f ( 647r sin 3 8 exp(±3i¢) .

A.4. USEFUL FORMULAE

Let r1 and r2 be two vectors having polar angles (81, (PI) and (82, ¢2),
respectively, and let 8 be the angle between them. The "addition (or biaxial)
theorem" of the spherical harmonics states that

(A.44a)

or
(A. 44b)

where x denotes the polar angles of a vector x.

210 ApPENDIX A

Using the generating function of the Legendre polynomials [see eq. (A.2)]
we also see that
(A.45)

where r < is the smaller and r> the larger of rl and r2. This result may also be
written with the help of eq. (A.44b) as
00 +1 ( )1
,
1 '"' '"' 411" r< * (~) (~)
, = ~ ~ 2l + 1 ( )1+1 Y1m rl Yl m r2 . (A.46)
rl - r2 1=0 m=-l r>
We also have

exp~ik'rl -,r 2') = ik f(2l + l)jl(krdh~I)(kr»Pl(cOSO) (A.47a)

rl - r2 1=0
+1
= 411"ik L L
00

jl(krdh~I)(kr>)Yl~(rdYlm(r2) (A.47b)
I=Om=-1

where jl and h~l) are respectively a spherical Bessel function and a spherical
Hankel function of the fIrst kind (see Appendix B).
The development in spherical harmonics of a plane wave exp( ik.r) is given
by
+1
L L
00

exp(ik.r) = 411" iljl(kr)Yl~(k)Ylm(r) (A.48)

I=Om=-1
Using the addition theorem (A.44), we may also write
00

exp(ik.r) = L(2l + l)i 1jl(kr)PI(cosO) (A.49)

1=0

where 0 is the angle between the vectors k and r. In particular, if we choose

the z-axis to coincide with the direction of k, we have
00

exp(ik.r) = exp(ikz) = L(21 + l)i 1jl(kr)PI(cosO) (A.50)

1=0

It may also be shown (see for exanlple Edmonds, 1957) that

! Yhml (0, 4»YI 2m2 (0, 4>)Yla m 3(0, 4»dO

= [(2h + 1)(2l~: 1)(21 + 1)] 3 1/2

(A. 5 I)

x (ho l2
0
13) (11
0 ml m2
l2 l3)
m3
LEGENDRE POLYNOMIALS 211

where we have introduced the Wigner 3 - j symbols (see Appendix E). From
eq. (A.51) we fmd that

11+12
Yllm1(B,1»YI2m2(B,1» = L
L=III-121 M=-L

X [(2 h + 1)(2l:: 1)(2L + 1)f/2 (A.52)

Xc~ l~ ~) (~1 ~2 ! )YL,-M(B,1»

This last equation may also be written in terms of vector addition (or Clebsch--
Gordan) coefficients (see Appendix E) as

YZlml(B,1»YI2m2(B,1»=
11+12
L
+L
L
[(2l 1 + 1)(2l2 +
411"(2L+1)
1)] 1/2

L=III-121 M=-L (A.53)

x (11 Ol20ILO)(llmll2m2ILM )YLM(B, 1»

We remark that in eqs. (A.52) and (A.53), the summation over M reduces
to one term with M = ml + m2.
Additional useful formulae may be found for example in Abramowitz and
Stegun (1964, Chapter 8), Rose (1957) and Edmonds (1957).
ApPENDIxB

BESSEL FUNCTIONS, MODIFIED BESSEL

FUNCTIONS, SPHERICAL BESSEL FUNCTIONS
AND RELATED FUNCTIONS

B.I. BESSEL FUNCTIONS

Let us consider the differential equation

2d 2w dw 2 2
z -+Z-+(Z -II )W=o (B. I)
dz 2 dz

where II is a parameter which is assumed to be real. The so-called cylin-

drical functions are solutions of this equation. Special cylindrical functions
are the Bessel functions J", (Z) [also called Bessel functions of the fIrst kind],
the Neumann functions N", (z) [also called Bessel functions of the second kind
and sometimes denoted Y",(z)) and the Hankel functions HS1)(z), HS2 )(z) [also
called Bessel functions of the third kind]. These functions may be defmed by the
following relations (Abramowitz and Stegun, 1964, Chapter 9; Watson, 1966)

'" 00 (_z2/4)k
J",(z) = (z/2) ( ; k!f(1I + k + 1)' I argzl < 7r (B.2)

where f is the Gamma-function,

1
N",(z) = . ( ) [COS(II7r)J",(Z) - L",(z)], 11=1= 0, ±1, ±2, ... j
SIn 117r

I arg zl < 7r, (B.3)

Nn(z)=limN",(z), n=0,±I,±2, ... jlargzl<7r, (B.4)
",-+n

J_n(z) = (-I)nJ n (z)jN_ n (z) = (-l) nN n (z), n=0,1,2, ... , (B.S)

HS1)(z) = J",(z) + iN",(z), (B.6)
HS 2 )(z) = J",(z) - iN",(z) . (B.7)

213
214 APPENDIX B

The functions pairs {JII(Z), NII(z)} and 1)(z), {HS HS2)(z)} are linearly inde-
pendent solutions of eq. (B. I ) for all values of 11.
We also note the integral representations

J J
n 00

JII(z) =~ cos(zsin¢> - 1I¢»d¢> - Sin~7r) exp(-zsinht -lIt)dt,

o 0
1 arg zl < 7r /2, (B.8a)

J
n

NII(z) = ~ sin(z sin ¢> -1I¢»d¢>

o

-~ J
00
(B.8b)
[exp( lit) + exp( -lit) cos( 1I7r)] exp( - z sinh t )dt,
o
largzl<7r/2

and

J
n

In(z) = ~ cos(z sin 4> - n4»d4>

o

i:n J
n
(B.8c)
= exp(izcos¢»cos(n4»d¢>, n =0,1,2, ...
o

If C denotes J, N, H (1) , H (2) or any linear combination of these functions

(the coefficients of which are independent of z and 11) we have the recurrence
relations

(B.9a)

(B.9b)

(B.9c)

(B.9d)

We also have

dJo(z) = -h (z); (B.ge)

dz
BESSEL FUNCTIONS 215

A generating function for the Bessel functions is given by

(B.IO)

When II is fixed and Z --+ 0, we have

J (z) --+ (z/2)Y (II =1= -1, -2, -3, ... ) (B.Ua)
y z->O r(1I + 1)

No(z) --+
z->07r
-lnz
2
(B.Ub)

Ny(z) --+ - r(lI) (z/2)-y, Re II> 0 . (B.Uc)

z-+O 7r

For II fixed and Izl --+ 00 we have the asymptotic expressions

Jy(z) --+
Izl->oo
( -
2 )

7rZ
1/2
cos(z----),
2 4
117r 7r
I arg zl < 7r, (B.12a)

Ny(Z) --+ ( -
Izl-+oo 7rZ
2 ) 1/2
sin(z----), 117r

2
7r

4
I arg zl < 7r, (B.12b)

H~l)(z) Izl-+oo
--+ (~) 1/2 exp [i (z _ 117r - ~)] ,-7r < argz < 27r, (B.12c)
7rZ 2 4

H~2)(z) Izl-+oo (~)1/2

--> exp [-i (z _ 117r _ ~)], -27r < argz < 7r. (B.12d)
7rZ 2 4

B.2. MODIFIED BESSEL FUNCTIONS

Let us now consider the differential equation

2d 2w
z -2
dz
+ zdw
dz
2 2
- - (z + II )w = 0 (B. 13)

The modified cylindrical functions are solutions of this equation. Particular

modified cylindrical functions are the modified Bessel functions I y (z) and K y (z )
such that
7r
Iy(z) = exp(-II7ri/2)Jy[zexp(i7r/2)], -7r < argz -< -2 (B.14a)
7r
= exp(3117ri/2)Jy[z exp( -3i7r /2)], -2 < argz <
- 7r (B. 14b)
216 APPENDIX B

and

~i exp(ll1ri/2)H~1)[zexp(i1l"/2)],
11"
Kv(z) = -11" < arg z $ 2 (B.l5a)
1I"i 11"
= -2:exP(-v1I"i/2)Hv [zexp(-i1l"/2)]'
(2)
-2 < argz $ 11" .(B.I5b)

We also have

(z2/4)k
L
v 00

Iv(z) = (z/2) k!r(v + k + 1) (B. 16)

k=O
11"
Kv(z)= . ( )[Lv(z)-Iv(z)), v=I=O,±1,±2, ... (B.I7)
2sm V1I"
(B.IS)

(B. 19)

where'Y = 0.5772156649 ... is Euler's constant,

I_n(z) = In(z), n = 0,1,2, ... (B.20)

K_v(z) = Kv(z) (B.2I)

We also note the integral representations

Iv =;1 J7r exp(zcos¢»cos(v¢»d¢> - sin(v1I") JOO

11" exp(-zcosht -vt)dt ,
o 0
11"
I argzl < 2
(B.22a)

J i'
7r

K v(z) = exp( -z cosh t) cosh(vt)dt, Iarg zl < (B.22b)

o

Kv(z)
(B.22c)
BESSEL FUNCTIONS 217

In particular,

()-J
Ko z -
00

exp( -zt) -
(t 2 _ 1)1/2dt -
J 00

exp[-z(U 2 + 1)1/2]
(U 2 + 1)1/2 du,
1 0 (B.22d)
7r
I argzl < 2" .
If Z denotes I y, exp(v7ri)K y or any linear combination of these functions
(the coefficients of which are independent of z and v), we have the recurrence
relations

(B.23a)

(B.23b)

(B.23c)

(B.23d)

We also have

d1o(z) = h(z); (B.23e)

dz
When v is fixed and z ~ 0,
(z/2t
I,,(z) z-=:o rev + 1) (v =I- -1, -2, -3, ... ) (B.24a)

Ko(z) ~ -Inz (B.24b)

z->o

K,,(z) ~ ~r(v)(z/2)-y Re v> 0 . (B.24c)

z->o 2

B.3. SPHERICAL BESSEL FUNCTIONS

Let us consider the differential equation

d2w
dz 2
+ ~ dw +
z dz
[1 _l (l z2+ 1)] w = 0 (B.25)

with l = 0, 1,2, .... Particular solutions of this equation are the spherical Bessel
functions (or spherical Bessel functions of the first kind)
7r ) 1/2
jl(Z) = (
2z Jl+1/2(Z), (B.26)
218 ApPENDIX B

the spherical Neumann functions (or spherical Bessel functions of the second
kind)
nl(Z) = (-1) Z+1 ( 2z
7r ) 1/2
LI- 1 /2(Z)
(B.27)
7r ) 1/2
= (
2z NI+l/ 2(Z)
and the spherical Hankel functions of the fIrst and second kind
hP)(z) = jl(Z) + inl(z)
7r ) 1/2 (1)
= (
2z H Z+ 1/ 2(z) (B.28)

h}2)(z) = jz(z) - inl(z)

7r ) 1/2 (2)
= ( 2z Hl+ 1 / 2(z) (B.29)

The functions jz(z) are regular while the functions nzCz), h}l)(z) and
h~2)(z) are irregular at the origin. The functions pairs {jl(z),nz(z)} and
{h~l) (z), h}2) (z)} are linearly independent solutions of eq. (B.25) for every l.
The fIrst three functions jl(Z) and nl(z) are given explicitly by
. () sin z
)0 z =- -,
z
. () sin z cos z
)1 z = ~- _z-, (B.30a)

h (z) = ( 33 - ~) sin z - 32 cos z ,

z z z
and
cos z
no ( z ) = ---,
z
n 1 ( z) = _ cos z _ sin z ,
z2 z (B.30b)

n2 Cz) = - 3"
z z
(3+ -1)
cos z - 2" sm z .
z
3.
The functions jl(Z) and nl(z) may be represented by the ascending series
zl
j I Cz) = (2l + I)!!

z2/2 (z2/2)2 ]
[ (B.31a)
x 1 - 1!(21 + 3) + 2!(2l + 3)(21 + 5) - ... ,
( ) (2l - I)!!
nl z = - zl+l
z2/2 (z2/2)2 ]
[ (B.31b)
x 1- 1!(1-2l) + 2!(1-21)(3-2l) - ...
BESSEL FuNCTIONS 219

and for l fIxed and z ---+ 0 we see that

zl
jl(Z) z-:::!o (2l + I)!! ' (B.32a)

( ) (2l - I)!!
nl z z-:::!o - z/+l (B.32b)

For l fIxed and real x ---+ 00 [in fact for x somewhat larger than l(l + 1)/2]
we have the asymptotic formulae

jl(X) ---+ - 1 sm
. ( x - -l7r) , (B.33a)
:1:-+00 X 2

nl(x) 1
--cos ( x - -l7r) , (B.33b)
---+
:1:-+00 X 7r
hi
(1) ( )
x ---+ -t
. exp[i(x - l7r /2)] , (B.33c)
3:--+00 x
(2)( ) .exp[-i(x-l7r/2)]
hi x ---+ t • (B.33d)
x-+oo X

If fl denotes jl, nl, h?) or h?), we have the recurrence relations (with
l> 0)

fl-1 (z) + 1/+1 (z) = (2l + l)z-l fl(z) , (B.34a)

d
lfl-1(Z) - (l + l)fl+l(Z) = (2l + l)-fl(z)
dz
, (B.34b)
l+l d
-.fl(z) + - fl(z) = fl-l(Z) , (B.34c)
z dz
l d
- .fl(z) - - fl(z) = fl+1(z) . (B.34d)
z dz
We also have the differentiation formulae (with m = 1,2,3, ... )

(B.35a)

(B.35b)

and the additional useful relations

jl(z)nl-l(z) - jl-l(z)nl(z) = z-2, l> 0, (B.36a)

d
jl(z)-nl(z) - nl ( Z)-jl
d ()z = z- 2 . (B.36b)
dz dz
220 ApPENDIX B

We also quote the following indefInite integrals

J j5(x)x 2dx = ~x3[j5(x) +no(x)h(x)] , (B.37a)

J n6(x)x 2dx = ~x3[n6(x) - jo(x)n1(x)] , (B.37b)

J h(x)dx = -jo(x) , (B.37c)

J jo(x)x 2dx = x 2h(x) , (B.37d)

J jf(x)x 2dx = ~x3[jf(x) - jl-1(X)jl+1(X)], I> 0 . (B.37e)

The following defInite integrals involving the functions j I often appear in

electron-atom scattering calculations:

J
00

exp( -ax )jl(bx )x/l- 1dx

o
(B.38a)
1['1/2b 1r(fL + I) (fL + I fL + 1+ 1 3 b2 )
= 21+1aIL+1r(1 + 3/2) 2F1 -2-' 2 ; 1+ '2; - a2 '
Re(a + ib) > 0, Re(a - ib) > 0, Re(fL + 1) > 0
where
ab z a(a + 1)b(b + 1) z2
2F1(a,b;c;z) = 1 + - ,+ ( ) I' + ... (B.38b)
c 1. c c+1 2.
is the hypergeometric function,

J00
.
exp(-ax)Jl(bx)x
1+1
I
_(2b)f(I+1)
dx - (a 2 + b2)1+1 ' Rea> 11mb!, (B.38c)
o

J
00
.
exp(-ax)Jl(bx)x
1+2 - 2a(2b)lf(l + 2)
dx- (a 2 +b 2)1+2 ' Rea> I1mbl·(B.38d)
o
Similar integrals involving higher powers of x may be obtained by differentiation
with respect to the quantity a.
Finally, we remark that

J 2:
00

jl(kr)jl(k'r)r 2dr = 2 6(k - k') (B.39)

o
Additional useful formulae are given for example in Abramowitz and Stegun
(1964, Chapters 9 and 10) and Watson (1966).
ApPENDIX C

DALITZ INTEGRALS

In this appendix we shall study integrals of the type (Dalitz, 1951, Joachain,
1983)

(C.l)

with f -+ 0+. Following Feynman (1949), we first set

a=a 2 +(q- k i)2

(C.2)
b =,82 + (q - kf)2

and use the integral representation

1
ab =
J
1
dt
[at+b(l-t)]2'
(C.3a)
o
By differentiating both sides of eq. (C.3a) with respect to a or (and) b, we also
have

-1= 2
a 2b
J1
t
[at + b(1 - t)J3
dt
'
(C.3b)
o

-1= 2
ab 2
J1

[at
I-t
+ b(1 - t)J3
dt
'
(C.3c)
o

1 (m + n - I)!
amb n = (m - 1)!(n - I)!
J
1

[at
t m - 1 (1
+ b(1 _
- t)n-l
t)]m+n dt
(C.3d)
o

221
222 APPENDIX C

so that we may rewrite eq. (C.l) as

- (m + n - 1)!
I m,n(a,,8;k i ,kf;k) = (m-1)!(n-1)!
J 1

dtt
m-1
(1-t)
n-1

o
(C.4)

1
x ~~------~--~----~----~----~--
[a 2t + (q - k i )2t + ,82(1- t) + (q - kf)2(1- t)]m+n
We now observe that

where

A = tki + (1 - t)kf , (C.6)

r2 = a 2t + ,82(1 - t) + t(l - t)(ki - kf)2
= a 2t + ,82(1 - t) + t(l - t)il 2 (C.7)

and we recall that ~ = k i - k f is the momentum transfer.

Apart from a one-dimensional integral on the t variable, the calculation of
I m ,n(a,,8; ki, kf; k) therefore reduces to the evaluation of integrals of the type

Ls = J dq
1
q2 _ k2 _ if [r 2
1
+ (q - A)2]S . (C.8)

Let us begin by considering the case S = 1. Using spherical coordinates

(q, (}q, ¢>q) in q space, taking the z-axis along the vector A and performing the
integration over the azimuthal angle ¢>q, we find that

J J
11" +00

L1 = 211" d(}q sin (}q dqq2

o 0 (C.9)
1 1
q2 _ k2 _ if x r2 + q2 + A2 - 2qA cos (}q

Upon changing the integration variables in this equation to q' = -q and (}q' =
11" - (}q, we can also write

J J
11" 0

L1 = 211" d(}q' sin (}q' dq' q'2

o -00 (C.lO)
1 1
X qI2-k 2 - i f r2+qI2+A2_2qIAcos(}q'
DALITZ INTEGRALS 223

so that, by comparing eqs. (C.9) and (C.10), we have

J J
11" +00

L1 = 7r d9q sin 9q dqq2

o -00 (C. 11)
1 1
x ~~~-- ~--~--~-------
q2 _ k 2 _ if r 2 + q2 + A2 - 2qAcos9 q

The integral on the q variable may be perfonned by considering q as a

complex variable and closing the contour with a semi-circle of infinite radius in
the upper-half complex q-plane. The poles of the denominator in this upper-half
q-plane are located at q1 and q2, with

q1 = k + if, q2 = A cos 9q + i(r2 + A2 sin 2 (}q)1/2 (C.12)

Hence, using the residue theorem, we have

(C. 13)

where we have set w = cos 9q in the flrst integral. Performing the integrals in
eq. (C.13), we obtain

L (k r A) = 7r
2
i In (k + A + ir) (C.14)
1 " A k - A + ir

The integrals Ls for 8 = 2,3, ... may be readily obtained from L1 by

successive differentiations with respect to r. Thus we have
- 1 a -
L2(k, r, A) = - 2r arL1(k, r, A) ,
7r 2
(C.15a)

- 1 a - (C. 15b)
Ls(k, r, A) = - 2(8 _ l)r arLs-1(k, r, A)

Let us now return to the expression for I m ,n(a,,8; ki' kf; k) given by eq.
(CA). In certain cases simple closed fonn expressions may be obtained for the
integration on the variable t. For example, when m = n = 1 we have (Lewis,
1956)

(C.16a)
224 ApPENDIX C

where

and

(C.16c)

It should be noted that the function on the right of eq. (C.16a) is single valued,
even when we cross a branch cut of (A 2 - B) 1/2, i.e. either square root can be
chosen. This function is therefore analytic, the only problem being the specifi-
cation of the branch of the logarithm; examination shows that we must take the
arguments of numerator and denominator from -7r to +7r.
Let us look in more detail at the particular case for which a = f3 "I 0 and
ki = kf = k = k. Using eqs. (C.l6), we fmd that

(C.l7)

We remark that this result may also be obtained by using eqs. (C.4), (C.l5a) and
the fact that we have here r2 + A2 = k 2 + a 2 . Thus we may write

(C.l8)

with r = (a 2 + t(l - t)~2)1/2. The integral (C.l8) is then readily performed

in closed form to yield the expression given by eq. (C.l7). Substitution of the
result (C.17) in eq. (2.37) yields the second Born term (2.38) corresponding to
scattering by the Yukawa potential (2.26).
ApPENDIX D

THE DENSITY MATRIX

A quantum system is said to be in a pure state when it is completely specified

by a single state vector, which is fully determined apart from a constant phase
factor. Quantum systems in pure states are prepared by performing a "maximal
measurement" or "complete experiment" in which all values of a complete set of
commuting observables are determined. Hence pure states represent the ultimate
limit of precise observation as allowed by the uncertainty principle; for this
reason they are also called states of "maximum knowledge".
In many cases, however, the measurement made on the system is not max-
imal. For instance, a beam of particles may be prepared in such a way that
certain quantum numbers (e.g. the spin orientation) are only known through a
probability distribution. Such systems, which cannot be described by a single
state vector, are said to be in mixed states. The study of these systems can
conveniently be made using the density matrix formalism (von Neumann, 1927;
Fano, 1957; ter Haar, 1961; Blum, 1981). This method also presents the advan-
tage of treating pure and mixed systems on the same footing. In this appendix
we shall briefly discuss the general properties of the density matrix.
Let us consider a system consisting of an ensemble of N subsystems a =
1,2, ... ,N. We suppose that each of these subsystems is in a pure state and is
therefore characterized by a distinct state vector \]1 (C», which we denote by Ia)
in the Dirac notation. The state vectors la) are assumed to be normalized, but
need not be orthogonal to each other.
Next, we choose a complete set of basis states In), namely orthonormal
eigenvectors of some complete set of operators. Since these basis states are
orthonormal,
(n'ln) = on'n or o(n' - n) (D.1)
and because they are complete

Lin) (nl = 1 (D.2)

n

Let us expand the pure state la) in the basis states In). We have

la) = L c~C» In) (D.3)

n

225
226 ApPENDIX D

with
c~a) = (nla) (D.4)

and
L Ic~a)12 =1 (D.S)
n

Consider now an observable represented by an operator A. The expectation

value of this operator in the pure state Ia) is

n n'
(D.6)
= LL{nla){alnl) (n'l A In)
n n'

The average value of A over the ensemble is therefore given by

N
(A) = L Wa (A)a (D.7)
a=l

where Wa is the statistical weight of the subsystem a, namely the probability of

obtaining this subsystem among the ensemble. The statistical weights Wa must
obviously be such that
(D.8)

and

(D.9)

Using the result (D.6), we may write eq. (D.7) explicitly as

N
(A) = L Wa L L c~~)* c~a) (n'l A In)
0=1 n n'
(D. 10)
N
= L LL(nla) Wa (aln') (n'l A In)
0=1 n 71,'

Let us now introduce the density operator (or statistical operator) which is
defmed as
N
p=Lla)Wa(al (D.ll)
a=l
THE DENSITY MATRIX 227

Taking matrix elements of the density operator between the basis states In), we
obtain the elements of the density matrix in the {I n)} representation, namely

N
Pnn' == (nl pin') = L(nla) Wo (aln')
0=1
(D.I2)

Returning to eq. (D.IO), we see that

(A) =L L (nl pin') (n'l A In)

n n'
(D.l3)
n
= Tr(pA)

where the symbol Tr denotes the trace. Hence the knowledge of p enables us to
obtain the statistical average of A. We also remark that if we take A to be the
identity operator, we obtain the normalization condition

Trp =1 . (D. 14)

As seen from its defmition (D.ll), the density operator p is Hermitian,

namely
(D.IS)
or
(nl pin') = (n.'1 p In)* (D.I6)
As a result, the density matrix may always be diagonalized by means of a unitary
transformation.
The diagonal elements of the density matrix,

Pnn = (nl pin) = L Wo Ic~0)12 , (D. 17)

0=1

have a simple physical interpretation. Indeed, the probability of finding the

system in the pure state Ia) is W 0 and the probability that Ia) is to be found in
the state In) is Ic~0)12. Thus the diagonal element Pnn gives the probability of
finding a member of the ensemble in the state n. We also note from eqs. (D.8)
and (D.I7) that
Pnn ~ 0 (D.I8)
228 ApPENDIX D

so that p is a positive semi-defmite operator. Moreover, combining the above

result with eq. (D.14), we see that all diagonal elements of the density matrix
must be such that
0:::; Pnn :::; 1 . (0.19)

Let us choose a representation {k} in which the density matrix is diagonal.

In that representation, we clearly have

(0.20)

where Pkk is the fraction of the members of the ensemble in the state Ik).
Moreover, using eqs (D.14) and (0.19), we have

(0.21)

This relation remains valid in any representation since the trace is invariant under
a unitary transformation. It is worth noting that because the density matrix is
Hermitian the result (0.21) may also be written in the form

(D.22)
n n'

Let us now consider the particular case such that the system is in a pure state
1'\). Then Wa = OaA and we see from eq. (D.11) that the density operator is
just
pA = 1'\) ('\1 (0.23)
This is a projection operator onto the state 1'\), with

(D.24)

Hence, in this case the relation (D.21) becomes

(0.25)

and eqs. (D.IO) and (D. 13) reduce to

(A) = Tr(pA A) = ('\1 A 1'\) (D.26)

It is worth noting that the equation Tr(pA)2 = 1 gives us a criterion for deciding
whether a state is pure or not that is invariant under all unitary transformations.
If we choose to work in a representation {k} such that pA is diagonal, we
see that
(0.27)
THE DENSITY MATRIX 229

and therefore the only non-vanishing matrix element of p>\ is the diagonal element
in the >.. th row and column, which is equal to one. As a result, all the eigenvalues
of the pure state density operator p>\ are equal to zero, except one which is equal
to unity. This last property is independent of the choice of the representation,
and may therefore be used to characterize the density matrix of a pure state.
Let us return to the general density operator (0.11) and density matrix
(0.12). Until now we have assumed that the pure states Io:} were normalized
to unity. If this requirement is dropped, then 0 < Tr p "# 1 and the basic result
(0.13) is replaced by
(A) = Tr(pA) (0.28)
Trp
In the above discussion we have labelled the rows and columns of the density
matrix Pnn' by simple indices n and n'. In general, of course, the symbol n refers
to a collection of indices, some of which taking on discrete values while others
vary continuously. In many cases, however, we are interested in some particular
property of the system (for example the spin). We then omit the dependence
on all other variables, keep only the relevant indices and defme in that way a
reduced density matrix. This is the case for example in Chapter 4, where we
discuss the density matrix for a spin -112 system.
ApPENDIX E

CLEBSCH-GORDAN AND RACAH COEFFICIENTS

In. this appendix we summarize the formulae describing the coupling of two or
more angular momenta. This leads to the introduction of Clebsch-Gordan and
Racah coefficients as well as higher order 3n - j symbols. For a complete
discussion of these topics reference should be made to specialized monographs
on angular momentum such as those by Rose (1957) and by Edmonds (1957).

E.l. CLEBSCH-GORDAN COEFFICIENTS

Let us first consider two independent quantum systems, or parts of a single

system, having angular momenta jl and j2 respectively. We denote by VJilml (1)
and V'i2 m2(2) the angular momentum eigenfunctions of these systems which
diagonalize the square and the z component of the angular momentum. Thus
(with h = 1)
j~VJilml (1) = h(h + 1)'l/Jilml (1) ,
(E.t)
hzVJjlml (1) = mlV'ilml (1)
where
ml=-h,-h+l,···,h (E.2)

and
j~V'i2m2(2) = h(h + l)vJi2m2(2) ,
(E.3)
hzV'i2m2 (2) = m2V'i2m2(2)
where
(E.4)

Here jlz and hz are the z components of jl and j2 respectively. Simultaneous

eigenfunctions of the operators j~, hz, j~ and hz are then given by the tensor
products V'ilml (1)v'i2 m2(2).
We now define the total angular momentum j of the two systems by

(E.5)

231
232 ApPENDIX E

and its z component j z by

(E.6)
The operators j ~ , j ~, j 2 and j z form a set of commuting operators. Let us denote
by VJjl32jm(l, 2) the coupled eigenfunctions common to the operators j~,j~,j2
and j z. These coupled eigenfunctions satisfy

j2VJMdm(1,2) = j(j + 1)VJM2jm(1, 2) ,

(E.7)
jzVJilhjm(l, 2) = mVJilhim(l, 2)
where
j = Iji - hi, Ih - hi + 1, ... , h + j2 (E.8)
and
m=-j,-j+1, ... ,j . (E.9)
The (2h + 1)(2h + 1) coupled eigenfunctions 1/!M2im(1,2) common to the
operators j~,j~,j2 and jz are related to the (2h + 1)(2h + 1) eigenfunctions
V'ilml (1)V'h m2(2) common to the operators j~,jIz,j~ and i2z by the unitarity
transformation

V'ilhim(1,2) = L (jImIi2 m 2Ijm)VJilml (1)V'hm2(2) . (E.IO)

mlm2
The coefficients (jlmli2m2Ijm) of this transformation are called vector cou-
pling or Clebsch--Gordan coefficients. These coefficients vanish unless eqs.
(E.8) and (E.9) are satisfied and m = mi + m2. To define these coefficients
unambiguously, the relative phases of the eigenfunctions VJilml (1)VJhm2 (2) and
V'ilhim(1,2) must be specified. We shall adopt here the phase convention of
Condon and Shortley (1935) where

(E.ll)

With this choice of phase the Clebsch--Gordan coefficients are real and
satisfy the orthogonality relations

L (jImIhm 2Ijm)(h m Ii2m 21j'm') = Ojj'omml, (E.12)

mlm2
which reduces to a single summation since m I +m2 = m, and

L(hmIhm2\jm)(hm~hm~ljm) = omlm~ om2m~ (E. 13)

jm

Using eq. (E. 13) we can invert eq. (E.IO) to yield

V'jl ml (l)V'hm2 (2) = L(h m Ii2 m 2Ijm )VJilhjm(l, 2) (E. 14)

i
CLEBSCH--GORDAN AND RACAH COEFFICIENTS 233

The Clebsch-Gordan coefficients also satisfy the symmetry relations

(E.15a)
(E.15b)

(E.15c)

(E. 15d)

Further symmetry relations can be obtained by combining these equations.

These symmetry relations can be simplified by introducing the 3 - j symbols
defined by Wigner (1940). These are defined by

( h
ml m2
h h) _(
m3
- - 1)31-12-m3(2°
J3 + 1)-1/2(.JIm1J2 m 2 1J3 - m3
0
0
)

(E.16)
The 3 - j symbols are invariant for even permutations of the columns and are
multiplied by (-1)31 +12+j3 for odd permutations or when the signs of ml, m2
and m 3 are changed. Thus

(h h h) (h
ml m2 m3 - m2
13
m3
h)
ml -
(j3m3 h h)
ml m2

= (-1)]1 +12+is ( h ml
13
m3 m2
h)
(E.17)

and

(E.18)

The orthogonality relations satisfied by the 3 - j symbols are

and

h) (h
m3 m~
h) =
m3 8m 1 m,8
1
m2 m'2

(E.20)
234 ApPENDIX E

TABLE E.l. Explicit values for the Clebsch-Gordan

coefficients (j1m - m~/2m2Ijm)

j m2 =t m2 =-t
+ m + (1/2)] 1/2 + (1/2)] 1/2
j1 + t [j1
2j1 + 1
[j1 - m
2j1 +1
. 1 _ [j1 - m + (1/2) f/2 [j1 + m + (1/2)] 1/2
J1 - 2'
2j1 + 1 2il + 1

Returning to Clebsch--Gordan coefficients we have the following important

relations
(it OhOIjO) = 0 unless it + h + is is even (E.21)
and
(E.22)
The Clebsch--Gordan coefficients can be calculated using the orthogonality and
the symmetry relations which they satisfy (Edmonds, 1957). Since the general
formula is quite complicated we limit ourselves here to giving their values in
Tables E.l and E.2 for the cases of most interest in this monograph when h =
1/2 and h = 1.

E.2. RACAH COEFFICIENTS

We now consider the addition of three angular momenta jl,j2 and j3 to

form the total angular momentum j given by

(E.23)

There is no unique way of carrying out this addition. We may fIrst couple jl and
j2 to give the resultant j12 and then couple this to j3 to give j. Alternatively, we
may couple jl to the resultant j23 of coupling j2 and h to give j. Finally, we
may couple jl and j3 to give the resultant j13 which is then coupled with j2 to
give j. These three representations are related by unitary transformations which
are expressed in terms of Racah coefficients introduced by Racah (1942, 1943).
Let us consider the connection between the fIrst two representations de-
scribed above which are characterized by the intermediate angular momenta

(E.24)

where the corresponding eigenfunctions are denoted by

(E.25)
 (')

~
iii

t
~
~
~
(')
TABLE E.2. Explicit values for the Clebsch--Gordan coefficients (i!m
- m21m2 Jjm) g
.."

j m2 = 1 m2 =0 m2 =-1
[(j1 +m)(j1 +m+1 )] 1/2 [(j1- m +1)(j1 +m+1 )f/ 2
i
j1 + 1 [(j1 - m)(j1 - m+ 1)] 1/2
(2j1 + 1)(2j1 + 2) (2j1 + 1)(j1 + 1) (2j1 + 1)(2j1 + 2)
_ [(j1 +m)(j1 -m+ 1)f/2 m
j1 [(j1- m )(j1 +m+ 1)f /2
2j1 (j1 + 1) [h(j1 + 1)]I/2 2j1 (j1 + 1)
j1 -1
[(j1 - m)(j1 - m + 1)f/2 _ [(j1 -m)(j1 +m)f / 2 [(j1 +m+ 1)(j1 +m)] 1/2
2j1(2j1 + 1) j1(2j1 + 1) 2j1(2j1 + 1)

tv
\;>
V>
236 APPENDIX E

respectively. These two representations are related by the transfonnation

'ljJjm(j12) = 2: R(h3 h2)'1jJjm(j23). (E.26)

12a

The Racah coefficient W is defmed by the equation

R(j23 jd = [(2h3 + 1)(2h2 + 1)]1/2W (hhii3;h2h3) (E.27)

We can derive a relation between the Racah coefficients and the Clebsch-
Gordan coefficients by expressing 'ljJjm(j12) and 'ljJjm(j23) in tenns of 'l/Jilml'
'ljJ12 m2 and 'ljJjama using eq. (E.IO). We obtain

(E.28)

and

(E.29)

Substituting these results into eq. (E.26) and using eq. (E.27) gives

2:[(2e + 1)(2J + 1)]1/2W(abcd; eJ)(b(3d8IJ(3 + 8)(aaJ(3 + 81ca + (3 + 8)

f
=(aab(3lea + (3)(ea + (3d8lca + (3 + 8)
(E.30a)
Also, using the properties of the Clebsch-Gordan coefficients defmed by eqs.
(E.12) - (E.IS) we obtain the following additional relations

[(2e + 1)(2J + 1)]1/2W(abcd;eJ)(aaJ(3 + 81ca + (3 + 8)

= 2:(aab(3lea + (3)(ea + (3d8ica + (3 + 8)(b(3d8IJ(3 + 8) (E.30b)
{3

where (3 + 8 is a fIxed parameter and

[(2e + 1)(2J + 1)]1/2W (abcd; eJ) = ~)aab(3lea + (3)

a{3 (E.30c)
X (ea + (3d8lca + (3 + 8)(b(3d8IJ(3 + 8)(aaJ(J + 81ca + (J + 8)
where a + (3 + 8 is a fIxed parameter.
CLEBSCH--GoRDAN AND RACAH COEFFICIENTS 237

FIGURE E. I. The tetrahedron illustrating the triangular relations satisfied by the arguments of the
Racah coefficient W(abcd; e/).

It is clear from the above defInitions that the six angular momenta in
W (abed; eJ) satisfy the four triangular relations

~(abe), ~(cde), ~(acJ), ~(bdJ) (E.31)

where, for example, the notation ~(abe) means that the three angular momenta
a, b and e form the sides of a triangle. These four triangular relations can be
combined by representing the angular momenta by the sides of a tetrahedron as
illustrated in fIgure E.1.
The Racah coefficients also satisfy certain symmetry relations under the
twenty-four possible permutations of the six arguments which preserve the four
triangular relations. These symmetry relations can be simplifIed using the 6 - i
symbol introduced by Wigner (1940), which is defIned by

{ i1. h. i3}
. -_ (- l)il+h+i4+i5W('J112J5J4,
. . . . J3J6
' . ) . (E.32)
J4 J5 J6

The 6 - i symbol is left invariant under any permutations of the three colUDlDS.
It is also invariant under interchange of the upper and lower arguments in any
two columns, e.g.

{~1 J4
~2 ~3}
J5 J6
= {~1 ~5 ~6}
J4 J2 J3
(E.33)

Returning to the Racah coefficients, one can show that they satisfy the
orthogonality relation

~)2e + 1)(2J + I)W(abcd; eJ)W(abcd; eg) = Ofg (E.34)

e

and the Racah sum rule

~)_I)a+b-e(2e + I)W(abcd;eJ)W(bacd;eg) = W(agJb;dc) . (E.35)

e
238 ApPENDIX E

In addition
(-1 )f-b-dDabDcd
W (abed' 0 f) = ~---',-:-:--~-'-:'::-= (E.36)
,. [(2b+l)(2d+l)]l/2
The general closed expression for the Racah coefficient is too complicated to
reproduce here but maybe found for example in Rose (1957) or Edmonds (1957).

E.3. 9 - j SYMBOLS

In many applications, we are interested in determining the transformation

between two coupling schemes of four angular momenta. This occurs for exam-
ple in the transformation from LS to j j coupling for two particles possessing
both orbital and spin angular momenta. The 9 - j symbol introduced by Wigner
(1940) is defmed by the following relation
((jlj2)jI2, (j3j4)j34,j~l(jlj3)jI3, (j2j4)j24,j~)

= [(2h2 + 1) (2i34 + 1)(2h3 + 1)(2j24 + 1)]1/2 {;~ ~~ h2}

J;4 .
J13 h4
(E.37)
The 9 - j symbol can be written as the sum over a product of three Racah
coefficients by expressing the bra vector in eq. (£.37) in terms of the ket vector
in eq. (E.37) by repeated use of the recoupling transfonnation defmed by eqs.
(£,26) and (E.27). We fmd that

(E.38)

x {;~~ j!2 ;:~} {j~3 ;~~ ;~:}.

An even permutation of the rows or columns of the 9 - j symbol leaves
the symbol unchanged as does the transposition obtained by interchanging rows
and columns. An odd transposition of the rows or columns causes the symbol
to be multiplied by the factor
(E.39)
The 9 - j symbols also satisfy the orthogonality relation

L (2h2 + 1) (2j34 + 1)(2h3 + 1)(2h4 + 1)

(E.40)
~12
J34
} { ~1
. .,
J3
J lI3
CLEBSCH-GoRDAN AND RACAH COEFFICIENTS 239

and the sum rule

(E.41)
~12 }
J34
j

When one argument of a 9 - j symbol is zero it reduces to a 6 - j symbol times

a factor. As an example we have

{ ;a ;be} (_I)b+ c+ +f
e {a be} (E.42)
~ = [(2e + 1)(2/ + 1)]1/2 d c /

The corresponding results when the zero appears in one of the other positions
can be obtained using the symmetry properties of the 9 - j symbols discussed
above.

E.4. HIGHER ORDER 3n - j SYMBOLS

In the theory of electron collisions with complex atoms, 3n - j symbols with

n ?: 4 often arise involving the recoupling of more than four angular momenta.
These recoupling coefficients can be expressed as sums over products of Racah
coefficients by repeated use of eqs. (E.26) and (E.27) in the same way as eq.
(E.38) for the 9 - j symbol was derived. We shall not discuss here the detailed
properties of these higher order 3n - j symbols. We remark, however, that
a computer code NJSYM has been written by Burke (1970) which enables a
general recoupling coefficient for an arbitrary number of angular momenta to be
calculated. This code has been incorporated into a number of atomic structure
and electron atom collision program packages.
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INDEX

Absorption factor. 26 Bloch operator, 87; see also R-matrix

Angular momentum method
coupling of. 231-239 Blatt-Jackson formula. 117; see also
density matrix for spin. 148-151 Effective range theory
operators for. 206 Born approximation, first
orbital. 5. 206-207 for Buckingham potential. 35-36
orbital eigenfunctions for. 207-209 for Coulomb potential. 34-35. 169-170
spin. 143-148 for hydrogen atom static potential. 53-54
spin-angle eigenfunctions for, 176-177 for polarization potential. 123-124
spin eigenfunctions for. 143-145 for relativistic collisions, 168-170
Anomalous singularities, 65-75; see also for scattering amplitude, 30, 33. 168
HultheJrKohn variational for tanllt, 31
methods for Yukawa potential. 34-35
Argon, collisions of electrons with Born approximation, second
Ramsauer minimum in, 125-126 eikonal approximation and. 45-50
scattering length in. 125-126 eikonal Born series (EBS) and, 49-50
Associated Legendre functions, properties for hydrogen atom static potential, 53-54
of, 204-205 for scattering amplitude, 30
Asymmetry parameter, 197-198 for superposition ofYukawa potentials.
Asymptotic behaviour 37-38
of Coulomb radial wave functions, 15 for tanlle, 31
of Dirac wave function, 164, 171 for Yukawa potential, 36-37
of radial wave function for finite range Born series
potential, 6, 25, 184 asymptotic form of, 37-38. 46-50
of SchrOdinger wave function, 2 convergence of, 32
eikonal series and, 45-50
Bargmann inequalities, 104, 139 eikonal Born series (EBS) and, 49-50
Barrier penetration, 113-114 multiple scattering series and, 32
Bessel functions optical theorem and, 38
asymptotic behaviour of, 215, 219 for scattering amplitude. 30-32
modified, 215-217 for superposition ofYukawa potentials,
power series expansions of, 213, 218 37-38
properties of, 213-220 unitarity relation and, 38
spherical, 6, 217-220 for Yukawa potential, 36-37

247
248 INDEX

Bound principles: see Extremum principles Coulomb scattering (cant.)

Bound states relativistic. 169-170
convergence of Born series and. 32 by repulsive potential, 134
Coulomb potential, 14, 132 Rutherford formula for, 12
dispersion relations and, 139-142 Coulomb wave functions
Levinson's theorem and, 114-116 analytic properties of, 129-130
quantum defect theory (QDT) and, 132 asymptotic behaviour of, IS
resonances and, 108-111 definition of, 13
Siegert states and, 108 Wronskian for, 130
S-matrix poles and, 108-109 Cross section: see Total cross section, Differ-
Branch cuts, lOS, 137-138 ential cross section
Breit-Wigner resonance formula, 110
Buckingham potential, 35--36, 55 Dalitz integrals, 36, 221-224
Buttle correction. 91-92; see also R-matrix Darwin term, 182
method Decaying states: see Resonances
Density matrix
Causality and time delay, 113 density operator and, 226
Clebsch-Gordan coefficients differential cross section in terms of, 192
properties of, 231-234 properties of, 225--229
tables of. 234-235 reduced, 148,229
three-j symbols and, 233 for spin polarized electrons, 148-151.
Collisions of electrons 191-193
with argon atoms, 125--126 Differential cross section; see also Total
with helium atoms, 92-93 cross section
with He+ ions, 133 asymmetry parameter in terms of. 197
with hydrogen atoms, 53-54. 72-73 for Buckingham potential. 35, 55
with krypton atoms, 125--126 for complex potential, 26
with mercury atoms, 198-199 for Coulomb potential, 12.16, 170
with xenon atoms, 125--126,200-201 definition of, 4
Collision matrix: see S-matrix, T-matrix and density matrix, 192
Complex potential scattering, 24-28 and direct and spin-flip amplitudes. 187-
Confluent hypergeometric function, 10-11 188
Connection formulae for JWKB approxima- for double scattering, 197
tion,57-58 eikonal-Bom series (EBS) for. 49-50
Coulomb penetration factor, 134 for finite range potential, 7
Coulomb scattering first Born approximation for, 33. 168-170
amplitUde, 12 for hydrogen atom static potential, 53-54
Born approximation for, 34-35,169-170 for long-range r- 2 potential, 129
bound states and, 14, 132 and M-matrix, 172, 187
differential cross section for, 12, 34-35, Mott formula for, 170
169-170 for relativistic collisions, 168-170, 187-
effective range theory for, 129-134 192
Gamow factor for, 134 relativistic first Born approximation for,
Mott formula for, 170 168-170
parabolic coordinates solution for, 10-12 Rutherford formula for, 12
phase shift, 13 spin polarization dependence of, 191-192
quantum defect theory (QDT) for. 132- Wallace approximation for, 53-54
134 Dirac equation
radial wave function for, 12-15 for central potential, 174-180
INDEX 249

Dirac equation (cont.) Effective range theory (cont.)

covariant form of, 154--155 for finite range potentials, 116--123
Dirac spinor for, 153 for long range r- S potentials, 123-129
direct and spin-flip scattering amplitudes for polarization potential, 124--126
for, 173, 186 quantum defect theory (QDT) and, 132-134
for electron in an electromagnetic field, Ramsauer minimum and, 125-126
153-155 relation with R-matrix, 116--117
first Born approximation for, 168-170 scattering length in, 117, 123
for free electrons, 152, 156--164 Eigenchannel method, 96--99; see also
helicity operator for, 161 R-matrix method
Lippmann-Schwinger equation for, 165- Eikonal approximation
166 for Buckingham potential, 55
Mott solution for Coulomb potential, conditions for validity of, 39
169-170 eikonal Born series (EBS) and, 49-50
non-relativistic limit of, 180-183 Glauber approximation and, 39--41
parity operator for, 174 for Green's function, 40
partial wave analysis of, 176--180, 183-186 for hydrogen atom static potential, 53-54
positive and negative energy solutions impact parameter in, 40-45, 51-53
of, 158, 161-162 JWKB approximation and, 59
projection operators for positive and Lippmann-Schwinger equation for, 39--40
negative energy solutions of, 163- optical theorem satisfied by, 44
164 partial wave analysis of, 43
radial wave equations for, 177-178 phase shift function in, 41-43
scattering amplitude for, 166--168, 170- relationship with Born series. 45-50
172 for scattering amplitude, 41-43
solution for Coulomb potential, 169-170 series expansion of. 44-45
solution for elastic electron-mercury in strong coupling case, 55
atom collisions, 198-199 for superposition ofYukawa potentials,
solution for elastic electron-xenon atom 47-50
collisions, 200-201 Wallace amplitude in, 50-54
transition matrix for, 166 for wave function. 40
Direct scattering amplitude: see Scattering for Yukawa potential, 46
amplitude Eikonal-Born series (EBS), 49-50; see also
Dispersion relations Eikonal approximation. Born
branch cuts in, 137-138 series
Cauchy's theorem and, 135 Electron-atom collisions: see Collisions of
for forward scattering amplitude, 138- electrons
142 Electron spin
index of refraction and, 135 direct and spin-flip amplitudes for, 173, 186
mathematical background for, 135-138 eigenfunctions for, 144
optical theorem and, 142 operators for, 143
subtracted, 136 Pauli spin matrices for, 145
Double scattering experiments, 196--200 polarization and the density matrix for,
148-151
Effective range, definition, 117 Sherman function and, 188
Effective range theory Exponential potential, 37,81-82
Blatt-Jackson formula and, 117 Extremum principles
for Coulomb potential, 129-134 bound on phase shift, 84-86, 1O0-1O1
effective range in, 117-120, 123 bound on scattering length, 83-84
250 INDEX

Fano line shape parameter, 110 Hulthen-Kohn variational methods (cant.)

Feynman integral parametrization. 36. 221 Schwartz singularities in, 65-75
First Born approximation: see Born approxi- Schwinger variational method and. 80-82
mation, first S-matrix form of, 63-{j4. 74-75
Flux of particles, 2-5 for s-wave scattering by an exponential
potentia!. 81-82
Gamow factor, 134 for s-wave scattering by the hydrogen
Glauber approximation. 39-41; see also atom static potential, 65-{j6. 72-73
Eikonal approximation for s-wave scattering by a square well
Green's function potential, 70
Born series for, 31 variational-least-squares (VLS) method.
for Dirac equation, 165 74
eikonal approximation for, 40 Hulthen variational method, 64. 71; see also
free particle, 17-19 Hulthen-Kohn variational
ingoing wave, 19 methods
outgoing wave, 18 Hydrogen atoms, collisions of electrons with
partial wave analysis of, 23 differential cross sections for, 53-54
total, 20-22 s-wave static phase shifts for, 72-73
Hydrogen atom static potentia!. 53-54, 65-
Hankel functions, 213-215; see also Bessel 66
functions Hylleraas-Undheim theorem, 100
Helicity operator, 161
Helium atoms, collision of electrons with, Impact parameter, 40-45, 51-53, 59
92-93 Index of refraction, 135; see also Dispersion
He+ ions, collisions of electrons with, 133 relations
Hulthen-Kohn variational methods Integral equation: see Lippmann-Schwinger
anomalous singularities in, 65-75 equation
anomaly-free (AF) method, 73, 81-82 Inverse Kohn variational method, 62-{j3, 68;
bound on scattering length, 83-84 see also Hulthen-Kohn varia-
for full scattering amplitude, 75-76 tional methods
Harris method, 72
Hulthen variational method, 64, 71 Jeffreys-Wentzel-Kramers-Brillouin
inverse Kohn variational method for (JWKB) approximation
cot/)t, 62-{j3, 68 connection formulae, 57-58
Kato identity and, 61 eikonal approximation and, 59
Kohn variational method for tan/)t, 62, 68 higher-order approximations, 59-{i0
minimum-norm-inverse-Kohn (MNR) impact parameter in, 59
method, 74, 81-82 for phase shift, 58-59
minimum-norm-Kohn (MNK) method, for radial wave function, 57
74,81-82 Jost functions
optimized-anomaly-free (OAF) method. branch cuts in, 105
73-74.81-82 conditions on the potential for. 104-105
optimized-minimum norm (OMN) definition of, 104. 106
method. 74, 81-82 differential equation satisfied by, 104,
restricted-interpo lated-anomal y -free 10(r-I07
(RIAF) method, 73 Levinson's theorem, application of, 114-
Rubinow variational method for cot/)t, 116
62-{j3,68 representation of radial wave function in
for scattering length, 64-{j6 terms of, 106
INDEX 251

Jost functions (cant.) Mott detector, 188, 200

representation of S-matrix in terms of, Multiple scattering series, 32
106-107
Wronskian relations for, 106 Neumann functions. 213-215; see also
Yukawa cuts in, 105 Bessel functions
for Yukawa potentials, 105 Nine-j symbols, properties of, 238-239

Kato identity, 61, 83 Optical potential, 24-28

K-matrix Optical theorem
definition of, 9 application in dispersion relations, 142
effective range expansion of, 117 Born series form of, 38
HulthCn-Kohn variational method for, for complex potentials, 28
62,68 definition of, 5,8
Schwinger variational method for, 78--82 eikonal approximation form of, 44
Kohn variational method, 62, 68; see also
Hulthen-Kohn variational Parabolic coordinates, 10
methods Parity
Krypton, collisions of electrons with of Dirac Hamiltonian, 174
Ramsauer minimum in, 125-126 of spherical harmonics, 207
scattering length in, 125-126 Partial wave analysis
of Coulomb scattering problem, 12-14
Left-right asymmetry, 197-198 of cross section, 7-'6, 27-28
Legendre polynomials, properties of, 203- of Dirac equation, 176-180, 183-186
204 of direct and spin-flip scattering ampli-
Levinson's theorem, 114-116 tudes, 186
Lippmann-Schwinger equation of eikonal scattering amplitude, 43
Born series derivation using, 29-30 of Green's function, 23
for Dirac equation, 165--166 of Lippmann-Schwinger equation, 22-23
for eikonal approximation, 39-40 ofM-matrix,185-186
for finite range potentials, 16-19 of plane wave, 7, 210
partial wave analysis of, 22-23 of scattering amplitude for complex
Schwinger variational method derived potential, 26
from, 76-77 of scattering amplitude for Coulomb plus
short range potential, 15
Mass correction term, 182 of scattering amplitude for finite range
Mercury atoms, collisions of electrons with, potential, 7
198-199 ofSchrodinger equation, 5--9,12-16,25--
M-matrix 28
definition of, 171 Pauli spin matrices, 145
differential cross section in terms of, Perfect scattering experiment, 196
172, 187, 192 Phase shift
direct and spin-flip scattering amplitudes Blatt-Jackson effective range formula
and, 173, 186 for, 117
invariant form of. 187 causality relation for, 113
partial wave analysis of. 185--186 complex, 25
Momentum transfer cross section Coulomb, 13
definition of, 8 eikonal approximation for, 43
for long-range r- 2 potential, 128-129 for finite range potential, 6
Mott cross section, 170 first Born approximation for. 31, 123
252 INDEX

Phase shift (cont.) Potential (cont.)

Hulthen variational method for, 64, 71 helium atom static exchange, 92
inverse Kohn variational method for, 62- hydrogen atom static, 53--54, 65--66, 72-
63,68 73
JWKB approximation for, 58-59 long-range r- s, 123-124
Kato identity for, 61 long-range r- 2 , 126-129
Kohn variational method for, 62, 68 optical, 24-28
Levinson's theorem for, 114-116 polarization, 35--36,124-126, 134,200--
for polarization potential, 124 201
quantum defect theory (QDT) relation repulsive tail, 113--114
for, 132-134 screened Coulomb: see Yukawa
resonance behaviour of. 109-111 separable, 84-86
R-matrix bound on, 100--101 spin-orbit, 183-185, 191
R-matrix method for, 90 square well, 70, 108, 122
Schwinger variational method for, 78- superposition ofYukawa, 37-38, 105
82 Yukawa,34-38,105
second Born approximation for, 31 Probability current density, 2-5
for s-wave scattering by helium atom
static exchange potential, 92-93 Quantum defect theory (QDT); see also
for s-wave scattering by hydrogen atom Effective range theory
static potential, 72-73 electron-ion collisions and, 133--134
variational bounds on, 84-86 quantum defect in, 132
variational methods for, 60--86
Wigner bound on, 101, 113 Racah coefficients, properties of, 234-238
zero-energy, 114-116, 133-134 Radial wave function
Plane wave asymptotic behaviour for Coulomb poten-
Coulomb modified, 11-12 tial. 15
expansion in partial waves, 7, 210 asymptotic behaviour for finite range
Poincare theorem, 106 potential. 6. 25, 184
Polarization potential behaviour at the origin. 6
Buckingham form of, 35--36, 55 for Coulomb scattering, 12-15
effective range theory for, 124-126, 134 for Dirac equation, 177, 184-185
in electrofHIrgon atom collisions, 125--126 JWKB approximation for, 57
in electron-krypton atom collisions, 125-- for Lippmann-Schwinger equation, 22-
126 23
in electron-xenon atom collisions, 125-- representation in terms of J ost functions,
126, 200--201 106
first Born approximation for, 123--124 scattering length and zero-energy, 117-
radial SchrMinger equation for, 124 118
Ramsauer minimum due to, 125 for SchrMinger equation, 5--7, 12-15,25
Potential Ramsauer mimimum, 125
Bargmann inequalities for, 104, 139 Rayleigh-Ritz variational principle, 83
Buckingham, 35--36, 55 Reaction cross section, 27-28
complex, 24-28 Relativistic scattering: see Dirac equation
Coulomb, 10--16,34-35, 129-134, 169- Resonances
170 behaviour of cross section near, 110--111
exponential, 81-82 behaviour of phase shift near, 109-111
finite range, 5--9, 16-23, 104-105, 116- bound states and, 108-111
123 Breit-Wigner resonance formula for, 110
INDEX 253

Resonances (cont.) Scattering amplitude (cont.)

Fano line shape parameter for, 110 optical theorem for, 5, 8, 28, 142
poles in the S-matrix and. 108-11 I partial wave analysis of, 7, 15,26, 186
position of, 110 for SchrMinger equation, 2-5, 7-8, 12,
shape, 113-114 15,26
Siegert states and, 108 Schwinger variational method for, 76-77
trajectories ofresonance poles, 122-123 second Born approximation for. 30
width of, 110 unitarity relation for, 8
Wigner time delay and. 111-114 Scattering length
R-matrix method definition of, 117
analytic properties of, 117 dependence on potential strength, 118
arbitrary boundary conditions in, 94-95 effective range theory and. 117
Bloch operator in, 87 extremum principle for, 83-84
bound on phase shift using, 100-101 for hydrogen atom static potential, 65-66
Buttle correction in, 91-92 Kohn variational method for, 64-65
convergence of, 92-94 low energy cross section and, 120
definition ofR-matrix in, 88 s-wave zero-energy wave function and.
effective range theory and, 116-117 117-118
eigenchannel method in, 96-99 SchrMinger equation
generalizations of, 99-100 for Coulomb potential, 10
homogeneous boundary conditions in, partial wave analysis of, 5-9. 12-16,25-
91-92 26
phase shift given by, 90 scattering amplitude for, 2-5, 7-8, 12,
propagator methods in, 95-96 15,26
for s-wave helium static exchange phase time-independent, I
shifts, 92-93 Schwartz singularities, 65-75; see also
variational correction to, 92 Hulthen-Kohn variational
variational methods for, 88-90, 97-99 methods
zero-order radial basis functions in, 91 Schwinger variational method
Rubinow variational method, 62-63, 68; see bilinear form of, 76
also Hulthen-Kohn variational bound on phase shift, 84-86
methods comparison with Born series, 77-78
Rutherford scattering formula, 12 comparison with Hulthen-Kohn varia-
tional methods, 80-82
Scattering amplitude fractional form of, 77
Born series for, 30 for scattering amplitude, 76-77
for complex potential, 26 separable potential approximation for,
Coulomb, 12. 15 79-80, 85-86
for Dirac equation, 166-168, 170-172 for s-wave scattering by an exponential
direct and spin-flip, 173, 186 potential, 81-82
dispersion relation for, 135-142 for tan 8(, 78-82
eikonal approximation for, 41--43 Screened Coulomb potential: see Yukawa
eikonal-Bom series (EBS) for, 49 potential
for finite range potential, 2-5, 7-8 Second Born approximation: see Born
first Born approximation for. 30, 33. 168 approximation, second
high energy behaviour of. 37-38. 47--49, Semi-classical approximation. 39-60; see
53 also Eikonal approximation,
Hulthen-Kohn variational method for. JWKB approximation
75-76 Shape resonances. 113-114
254 INDEX

Sherman function Spin polarization (cont.)

asymmetry parameter and, 197 Sherman function and. 192-196
definition of, 188, 192 S(9), T(9) and U(9) parameters in, 194-
differential cross section in terms of, 196. 199-200
188--190 Square well potential, 70, 108. 122
for elastic electron mercury atom colli- Static exchange approximation. 92
sions, 198--199 Static potential for electron-hydrogen atom
spin polarization in terms of, 192-196 collisions, 53
Siegert states, 108; see also Bound states, Stationary values: see Hulthen-Kohn
Resonances variational methods. Schwinger
Six-j symbols, 234-238; see also Racah variational method. R-matrix
coefficients method
S-matrix Statistical operator: see Density matrix
analytic properties of, 106-111
bound states and resonances in, 108--111 Three-j symbols, 233; see also Clebsch--Gor-
for Coulomb potential, 14 dan coefficients
definition of, 9 Three n-j symbols, 239
poles in, 108--111 Time delay: see Wigner time delay
representation in terms of Jost functions, T-matrix
106-107 definition of, 9
resonance behaviour of, 109-110 low energy resonance behaviour of, 120
unitarity of, 9 relation with phase shift. 9
variational methods for, 63-M, 74-75 relation with S-matrix, 9
Spherical Bessel functions, 6, 217-220; see Total cross section; see also Differential
also Bessel functions cross section
Spherical Hankel functions. 218--219; see behaviour near a resonance. 110-111
also Bessel functions Breit-Wigner resonance form of. 110
Spherical harmonics for complex potential. 27
addition theorem for. 209 definition of. 2-5
coupling rule for, 211 dispersion relation for, 142
expansion ofa plane wave in, 7. 210 for finite range potential. 4. 7--S
explicit expressions for, 209 first Born approximation for, 33
parity of, 207 for long-range r- 2 potential. 128-129
properties of, 207-211 low energy behavior of. 120-121
Spherical Neumann functions, 6, 218--220; momentum transfer, 8
see also Bessel functions optical theorem for, 5, 28. 142
Spin-angle eigenfunctions, 176-177 partial wave analysis of. 7--S. 27
Spin-flip scattering amplitude: see Scatter- for polarization potential, 125
ing amplitude Ramsauer minimum in, 125
Spin-orbit potential, 183-185, 191 reaction, 27-28
Spin polarization Transition matrix
definition of, 150 definition of, 20
density matrix and, 148--151, 191-193 for Dirac equation, 166
differential cross section in terms of, partial wave analysis of, 23
188,191-192 Triple scattering experiments, 199-201
in double scattering, 196-200
measurement by Mott detector of, 188, Unitarity relation
200 Born series form of, 38
of scattered electrons, 192-196 definition of, 8
INDEX 255

Variable phase method, 7 Wigner time delay (cont.)

Variational methods, 60-86; see also near a resonance, 112-113
Hulthen-Kohn variational for a wave packet, 111-112
methods, Schwinger variational Wronskian, 106, 130
method, R-matrix method
Xenon, collisions of electrons with
Wallace amplitude, 50-54; see also Eikonal Ramsauer minimum in, 125--126
approximation scattering length in, 125--126
Wave packet: see Wigner time delay triple scattering experiment, 200-20 I
Wentzel-Kramers-BriIIouin (WKB) approxi-
mation: see Jeffreys-Wentzel- Yukawa cut, 105
Kramers-BriIIouin (JWKB) Yukawa potential, 34-38, 105
approximation
Wigner bound on phase shift, 101, 113 Zero-energy collisions
Wigner R-matrix: see R-matrix cross section for, 120-121
Wigner time delay; see also Resonances phase shift for, 114-116, 133-134
causality and, 113 radial wave function for, 117-118