Spherical Harmonics: LM L L LM L LM M LM L
Spherical Harmonics: LM L L LM L LM M LM L
Spherical Harmonics: LM L L LM L LM M LM L
Spherical Harmonics
Let us consider the eigenfunctions of the orbital angular momenta Lz and L2:
Lz lm = m lm
L2 lm = l (l + 1) 2 lm
If we write
nˆ lm = Ylm (θ , φ ),
with
∂
Lz =
i ∂φ
we have
∂
− i nˆ lm = m nˆ lm
∂φ
which suggests that
Ylm (θ , φ ) = Plm (θ )e imφ .
From
2 ⎡ 1 ∂ ⎛
2 ∂ ⎞ 1 ∂ 2 ⎤
L = − ⎢ ⎜ sin θ ⎟ +
⎣ sin θ ∂θ ⎝ ∂θ ⎠ sin 2 θ ∂φ 2 ⎥⎦
we have
⎡ 1 ∂ ⎛ ∂ ⎞ 1 ∂ 2 ⎤
− 2 ⎢ ⎜ sin θ ⎟ + 2 2 ⎥
nˆ lm = l (l + 1) 2 nˆ lm
⎣ sin θ ∂θ ⎝ ∂θ ⎠ sin θ ∂φ ⎦
or
⎡ 1 ∂ ⎛ ∂ ⎞ 1 ∂ 2 ⎤
− 2 ⎢ ⎜ sin θ ⎟ + 2
P (θ )e imφ = l (l + 1) 2 Plm (θ )e imφ
2 ⎥ lm
⎣ sin θ ∂θ ⎝ ∂θ ⎠ sin θ ∂φ ⎦
which leads to the associated Legendre equation
⎡ 1 ∂ ⎛ ∂ ⎞ m 2 ⎤
⎢ ⎜ sin θ ⎟ + l (l + 1) − 2 ⎥ Plm (θ ) = 0
⎣ sin θ ∂θ ⎝ ∂θ ⎠ sin θ ⎦
The associated Legendre polynomials may be evaluated using the ladder operators
L± = Lx ± iLy
Operating on the eigenkets of Lz and L2,
L± lm = l (l + 1) − m(m ± 1) l , m ± 1 .
Now,
⎡ ∂ ∂ ⎤
Lx = − ⎢sin φ + cot θ cos φ ⎥
i ⎣ ∂θ ∂φ ⎦
⎡ ∂ ∂ ⎤
L y = ⎢cos φ − cot θ sin φ ⎥
i ⎣ ∂θ ∂φ ⎦
1
Spherical Harmonics
Thus,
⎡ ∂ ∂ ⎛ ∂ ∂ ⎞⎤
L± = ⎢− sin φ − cotθ cosφ ± i⎜⎜ cosφ − cotθ sin φ ⎟⎥
i ⎣ ∂θ ∂φ ⎝ ∂θ ∂φ ⎟⎠⎦
⎡ ∂ ∂ ⎤
= −ie ±iφ ⎢± i − cotθ ⎥
⎣ ∂θ ∂φ ⎦
Starting from
L+ l , l = 0 ,
we have
⎡ ∂ ∂ ⎤
− ie iφ ⎢i − cotθ ⎥ Pll (θ )e ilφ = 0
⎣ ∂θ ∂φ ⎦
or
dPll
= l cotθPll
dθ
This yields
ln Pll = l ln sin θ + ln Cl
Thus,
Pll (θ ) = Cl sin l θ .
Normalizing, we have
* 2 π 2π
∫ Ylm (θ ,φ )Ylm (θ ,φ )dΩ = Cl ∫ sin 2l θ sin θdθ ∫ dφ = 1
0 0
Since sine is symmetric about π/2,
π π /2
∫ sin 2l θ sin θdθ =2∫ sin 2l θ sin θdθ .
0 0
Integrating by parts, we have
π /2 π /2 π /2
∫ sin 2l θ sin θdθ = − sin 2l θ cosθ + 2l ∫ sin 2l −1 θ cos 2 θdθ
0 0 0
π /2 π /2
= 2l ⎡∫ sin 2l −1 θdθ − ∫ sin 2l +1 θdθ ⎤
⎢⎣ 0 0 ⎥⎦
or
π /2 π /2
[2l + 1]∫0 sin 2l θ sin θdθ = 2l ∫ sin 2l −1 θdθ
0
Applying the last relation successively, we have
π /2 2l π / 2 2l −1 2l 2l − 2 π / 2 2l −3
∫ sin 2l θ sin θdθ = sin θdθ = sin θdθ
0 2l + 1 ∫0 2l + 1 2l − 1 ∫0
(2l )(2l − 2)2 π / 2 2l!!
= ∫ sin θdθ =
(2l + 1)(2l − 1)3 0 (2l + 1)!!
The double factorials may be recast as follows:
2
2l!!
=
(2l )(2l − 2)2
=
[(2l )(2l − 2)2]
(2l + 1)!! (2l + 1)(2l − 1)(3)(1) (2l + 1)2l (2l − 1)(3)(2)(1)
=
[2 (l )(l − 1)1]
l 2
=
[2 l!]
l 2
2
Spherical Harmonics
1 = Cl
2 π 2l
sin θ sin θdθ ∫ dφ = Cl
2π 2
2
[2 l!]
l 2
2π
∫
0 0 (2l + 1)!
or
Cl =
(− 1)l (2l + 1)2l!
2l l! 4π
where the phase factor (-1)l was included to fix Pl0(1) = 1. We then have
l
(− 1) (2l + 1)2l! l ilφ
Yll (θ ,φ ) = l sin θe .
2 l! 4π
We may verify that this is indeed an eigenfunction of L2.
⎡ 1 d ⎛ d (sin θ ) l ⎞ l2 ⎤
L2Yll = 2Cl ⎢− ⎜⎜ sin θ ⎟⎟ + 2
(sin θ ) l ⎥ e ilφ
⎣ sin θ dθ ⎝ dθ ⎠ sin θ ⎦
⎡ 1 d ⎤
= Cl ⎢− ( )
sin θ (l sin l −1 θ ) cosθ + l 2 sin l −2 θ ⎥ 2 e ilφ
⎣ sin θ dθ ⎦
⎡ 1 1 ⎤
= Cl ⎢− (
l 2 sin l −1 θ cos 2 θ − ) (
l sin l θ (− sin θ ) + l 2 sin l −2 θ ⎥ 2 e ilφ)
⎣ sin θ sin θ ⎦
[ 2 l −2 2 l
= Cl − l sin θ cos θ + l sin θ + l sin θ e 2 l −2 2 ilφ
]
= C [− l
l
2
sin l −2 2 l l
θ + l sin θ + l sin θ + l sin 2 l −2
θ ] 2 e ilφ
= l (l + 1) 2Cl sin l θe ilφ
= l (l + 1) 2Yll
Other spherical harmonics may be obtained by successive use of the (lowering) ladder operator.
We may facilitate the evaluation of a generator for spherical harmonics by noting that
l (l + 1) − m(m ± 1) = l 2 + l − m 2 m = (l + m)(l − m) + (l m)
= (l m)(l ± m + 1)
Thus,
L− lm = (l + m)(l − m + 1) l , m − 1
This expression allows for a quicker evaluation of the term in the square root.
3
Spherical Harmonics
⎡ d ⎤
− e i (l −1)φ ⎢ + l cotθ ⎥ Pll (θ ) = 2lYl ,l −1 (θ ,φ )
⎣ dθ ⎦
and
1 i (l −1)φ ⎡ d ⎤
Yl ,l −1 (θ , φ ) = − e ⎢ + l cot θ ⎥ Pll (θ )
2l ⎣ dθ ⎦
We now note that
cos θ
l cot θ = l
sin θ
and that
d
l (sin θ) l cot θ = l (sin θ) l −1 cos θ = (sin θ)l
dθ
Thus,
⎡ d ⎤ df d (sin θ) l
(sin θ) l ⎢ + l cot θ⎥ f (θ) = (sin θ) l + f
⎣ dθ ⎦ dθ dθ
d
=
dθ
(sin θ)l f (θ) [ ]
and
⎡ d ⎤ 1 d
⎢⎣ dθ + l cot θ ⎥⎦ Pll (θ ) = (sinθ ) l Pll (θ )
(sinθ ) l dθ
Cl d
= (sinθ ) 2l
(sinθ ) l dθ
Hence,
Cl i (l −1)φ 1 d
Yl ,l −1 (θ , φ ) = − e l
(sin θ ) 2l
2l (sin θ ) dθ
Applying L- a second time, we have
L−Yl ,l −1 (θ ,φ ) = (l + l − 1)(l − l + 2)Yl ,l −2 (θ ,φ ) = 2(2l − 1)Yl ,l −2 (θ ,φ )
where
⎡ d ⎤ ⎡ C 1 d ⎤
L−Yl ,l −1 (θ ,φ ) = −ie −iφ ⎢− i − i (l − 1) cotθ ⎥ ⎢− l e i (l −1)φ l
(sinθ ) 2l ⎥
⎣ dθ ⎦ ⎣ 2l (sinθ ) dθ ⎦
Cl ⎡ d ⎤ ⎡ 1 d ⎤
= (−1) 2 e i (l −2)φ ⎢ + (l − 1) cotθ ⎥ ⎢ l
(sinθ ) 2l ⎥
2l ⎣ dθ ⎦ ⎣ (sinθ ) dθ ⎦
l −1
Cl 1 d ⎡ (sin θ ) d ⎤
= (−1) 2 e i ( l − 2 )φ l −1 ⎢ l
(sinθ ) 2l ⎥
2l (sinθ ) dθ ⎣ (sinθ ) dθ ⎦
Thus,
Cl 1 d ⎡ 1 d ⎤
Yl ,l −2 (θ ,φ ) = (−1) 2 e i (l −2)φ l −1 ⎢ (sinθ ) 2l ⎥
2(2l )(2l − 1) (sinθ ) dθ ⎣ sin θ dθ ⎦
4
Spherical Harmonics
If we let u = cosθ,
d d dθ d 1 d
= = =−
du d cos θ d cos θ dθ sin θ dθ
we then have
Cl i (l −1)φ 1 d
Yl ,l −1 (θ , φ ) = e l −1 (1 − u 2 ) l
2 2 du
2l (1 − u )
Cl 1 d2 l
Yl ,l −2 (θ ,φ ) = e i ( l − 2 )φ 2 l −2
(1 − u ) 2 du 2
(
1− u 2 )
2(2l )(2l − 1)
Cl 1 d3 l
Yl ,l −3 (θ ,φ ) = e i (l −3)φ 3
(
1− u2 )l −3
3!2l (2l − 1)(2l − 2) (1 − u 2 ) du 2
Ylm (θ ,φ ) =
(− 1)l (2l + 1) (l + m)! imφ
e
1 d l −m
1− u2 ( l
) (1)
l 2 m/2 l −m
2 l! 4π (l − m)! (1 − u ) du
We note that
Yl 0 (θ ,φ ) =
(− 1)l (2l + 1) dl
(
1− u 2
l
)
l
2 l! 4π du l
For m < 0, we may apply the lowering operator on Yl0:
L−Yl 0 (θ ,φ ) = l (l + 1)Yl , −1 (θ ,φ )
where
L−Yl 0 (θ ,φ ) = −
(− 1)l (2l + 1)e −iφ d dl
(
1 − cos 2 θ
l
)
l l
2 l! 4π dθ d (cosθ )
l
(− 1) (2l + 1)e −iφ sin θ d dl l
= l
2 l! 4π d cosθ d (cosθ )l
(
1 − cos 2 θ )
In terms of u = cosθ,
5
Spherical Harmonics
Yl , −1 (θ , φ ) =
(− 1)l (2l + 1) (l − 1)! −iφ
e 1− u2 ( 1/ 2
) d l +1
1− u2 ( )l
l
2 l! 4π (l + 1)! du l +1
Applying the lowering operator further, we have
L−Yl , −1 (θ ,φ ) = (l − 1)(l + 2)Yl , −2 (θ ,φ )
where
l
⎡ ∂ ∂ ⎤ (− 1) (2l + 1) 1/ 2 d l +1 l
L−Yl , −1 (θ ,φ ) = −ie −iφ ⎢− i − cotθ
∂φ ⎥⎦ 2l l! 4πl (l + 1)
(
e −iφ 1 − u 2 ) du l +1
(
1− u 2 )
⎣ ∂θ
= −
(− 1)l (2l + 1) ⎡ d ⎤
e −2iφ ⎢ − cotθ ⎥ 1 − u 2 ( 1/ 2
) d l +1
1− u 2( ) l
l
2 l! 4πl (l + 1) ⎣ dθ ⎦ du l +1
L−Yl , −1 (θ ,φ ) = −
(− 1)l (2l + 1) e −2iφ sin θ
d ⎡
(sin θ )−1
sin θ
d l +1 ⎤
(sin θ )2l ⎥
⎢
2l l! 4πl (l + 1) dθ ⎣ d (cosθ )
l +1
⎦
=
(− 1)l (2l + 1) (
e −2iφ 1 − u 2
l +2
) dud (1 − u ) 2 l
l l +2
2 l! 4πl (l + 1)
and
Yl , −2 (θ ,φ ) =
(− 1)l (2l + 1) (l − 2)! −2iφ
e (
1− u 2
d l +2
)
1− u2 ( ) l
l l +2
2 l! 4π (l + 2)! du
l l +2
L−Yl , −2 (θ ,φ ) = −
(− 1) (2l + 1) (l − 2)! −3iφ ⎡ ∂ ⎤
e ⎢ − 2 cotθ ⎥ 1 − u 2 d
1− u2 ( ) ( l
)
l l +2
2 l! 4π (l + 2)! ⎣ ∂θ ⎦ du
= −
(− 1)l (2l + 1) (l − 2)! −3iφ
e (sin θ )
2 d ⎡
(sin θ )−2
(sin θ )2 d l +2 ⎤
(sin θ )2l ⎥
⎢
Thus, 2 l l! 4π (l + 2)! dθ ⎣ d (cosθ )
l +2
⎦
=
(− 1)l (2l + 1) (l − 2)! −3iφ
e (
1− u 2
3/ 2
) d l +3
1− u2 ( l
)
l 6
2 l! 4π (l + 2)! du l +3
Spherical Harmonics
Yl , −3 (θ , φ ) =
(− 1)l (2l + 1) (l − 3)! −3iφ
e 1− u2 ( 3/ 2
) d l +3
( 1− u2
l
)
l
2 l! 4π (l + 3)! du l +3
l
(− 1) (2l + 1) (l + m)! imφ −m / 2 d l −m l
Yl ,m (θ , φ ) = l
2 l! 4π (l − m)!
e 1− u2 ( ) du l −m
(
1− u2 )
which is identical to the expression for m≥ 0.
2 ⎡ 1 ∂ ⎛
2 ∂ ⎞ 1 ∂ 2 ⎤
L Ylm (θ , φ ) = − ⎢ ⎜ sin θ ⎟ + 2
Y (θ , φ ) = l (l + 1) 2Ylm (θ , φ )
2 ⎥ lm
⎣ sin θ ∂θ ⎝ ∂θ ⎠ sin θ ∂φ ⎦
and its complex conjugate is
⎡ 1 ∂ ⎛ ∂ ⎞ 1 ∂ 2 ⎤ *
− 2 ⎢ ⎜ sin θ ⎟ + 2 2 ⎥
Y lm (θ ,φ ) = l (l + 1) 2Y *lm (θ ,φ )
⎣ sin θ ∂θ ⎝ ∂θ ⎠ sin θ ∂φ ⎦
suggesting that Y*lm is an eigenfunction of L2 with eigenvalue l(l+1)2. Together, these imply that
Y*lm is at least proportional to Yl,-m. That is,
Y *lm (θ , φ ) = CmYl , − m (θ , φ )
Applying the ladder operator on the spherical harmonics, we note that
⎡ ∂ ∂ ⎤
L+Ylm (θ ,φ ) = −ie iφ ⎢i − cotθ ⎥Ylm (θ ,φ ) = (l − m)(l + m + 1)Yl ,m+1 (θ ,φ )
⎣ ∂θ ∂φ ⎦
and its complex conjugate is
⎡ ∂ ∂ ⎤
ie −iφ ⎢− i − cotθ ⎥Y *lm (θ ,φ ) = (l − m)(l + m + 1)Y *l ,m+1 (θ ,φ )
⎣ ∂θ ∂φ ⎦
or
⎡ ∂ ∂ ⎤
ie −iφ ⎢− i − cotθ ⎥CmYl , − m (θ ,φ ) = (l − m)(l + m + 1)Y *l ,m+1 (θ ,φ )
⎣ ∂θ ∂φ ⎦
On the other hand
⎡ ∂ ∂ ⎤
L−Yl , − m (θ ,φ ) = −ie −iφ ⎢− i − cotθ ⎥Yl , − m (θ ,φ ) = (l − m)(l + m + 1)Yl ,− m−1 (θ ,φ )
⎣ ∂θ ∂φ ⎦
Thus,
Y *l ,m+1 (θ ,φ ) = −CmYl , −( m+1) (θ ,φ )
Since we also have
Y *l ,m+1 (θ ,φ ) = Cm+1Yl , −( m+1) (θ ,φ )
we then find that in general,
7
Spherical Harmonics
Cm+1 = −Cm .
We now note that for m = 0,
Y *l ,0 (θ ,φ ) = C0Yl ,0 (θ ,φ )
Since the Associated Legendre Polynomials are real,
C0 = 1.
It then follows that
C1 = −C0 = −1; C2 = −C1 = 1; C3 = −C2 = −1; and so on …
and that in general,
Cm = (−1) m .
We thus obtain the conjugation relation for spherical harmonics
*
Ylm (θ , φ ) = (−1) m Yl , − m (θ , φ )
Alternatively, we may start with Yl,-1 and apply the raising operator to generate the other spherical
harmonics. In particular, since
L− l ,−l = 0 ,
we have
⎡ ∂ ⎤
− ie −iφ ⎢− i + il cotθ ⎥ Pl , −l (θ )e −ilφ = 0
⎣ ∂θ ⎦
which gives
dPl , − l
= l cotθPl , − l
dθ
and
Pl , −l (θ ) = C 'l sin l θ
Here, we choose a phase factor of (+1) for C'l. Other spherical harmonics may be obtained by
applying the raising ladder operator on Yl,-l. Thus,
8
Spherical Harmonics
C 'l 1 d ⎡ 1 d ⎛ 1 d ⎞⎤
Yl , −l +3 (θ ,φ ) = e i ( −l +3)φ l −2 ⎢ ⎜ (sinθ ) 2l ⎟⎥
3 ⋅ 2 ⋅ 2l (2l − 1)(2l − 2)
In terms of u = cosθ, (sinθ ) dθ ⎣ sin θ dθ ⎝ sin θ dθ ⎠⎦
C 'l 1 d
Yl , −l +1 (θ ,φ ) = − e i ( −l +1)φ l −1 (1 − u 2 ) l
2 2 du
2l (1 − u )
C 'l 1 d2 l
Yl , −l + 2 (θ ,φ ) = (−1) 2
e i ( − l + 2 )φ
2 l −2
(1 − u ) 2 du 2
1− u2 ( )
2(2l )(2l − 1)
C 'l 1 d3 l
Yl , −l +3 (θ ,φ ) = (−1) 3 e i ( −l +3)φ l −3
du 3
(
1− u 2 )
3!2l (2l − 1)(2l − 2) 2
(1 − u ) 2
and generally,
1 (2l + 1) (l − m)! imφ d l +m l
Yl ,m (θ ,φ ) = (−1) l + m
2 l l! 4π (l + m)!
e (1 − u 2 ) m / 2 l + m 1 − u 2
du
( ) (2)
or
1 (2l + 1) (l − m)! imφ d l +m l
Yl ,m (θ ,φ ) = (−1) m
2 l l! 4π (l + m)!
e (1 − u 2 ) m / 2 l + m u 2 − 1
du
( )
The last expression may be compared with the Rodrigues' formula for the associated Legendre
polynomials
1 m/2 d m +l 2 l
Plm (u ) = l
2 l!
(
1− u 2 ) dx m +l
u −1 ; ( ) −l ≤ m ≤ l
giving us,
m 2l + 1 (l − m )!
nˆ lm = Ylm (θ ,φ ) = (− 1) Plm (cosθ )e imφ
4π (l + m )!
The factor (-1)m is a phase factor called the Condon-Shortley phase.
The conjugation relation for spherical harmonics may be evaluated by comparing the two
alternative expressions. From the latter expression, we note that
9
Spherical Harmonics
l m Ylm (θ , φ ) rYlm ( x, y, z )
1 1
0 0
4π 4π
3 3
1 0 cosθ z
4π 4π
3 3
1 ±1 sin θe ±iφ (x ± iy )
8π 8π
5 1 5 1 2
2 0
4π 4
(
3 cos 2 θ − 1 ) 4π 4
(3z − r 2 )
5 3 5 3
2 ±1 sin θ cos θe ±iφ z (x ± iy )
4π 2 4π 2
5 3 5 3
2 ±2 sin 2 θe ± 2iφ (x ± iy )2
4π 8 4π 8
7 1 7 1
3 0
4π 4
(2 cos3 θ − 3 cosθ sin 2 θ ) 4π 4
(
z 5 z 2 − 3r 2 )
7 3 7 3
3 ±1
4π 16
(
4 cos 2 θ sin θ − sin 3 θ e ±iφ )
4π 16
(
5 z 2 − r 2 (x ± iy ))
7 15 7 15 2
3 ±2 cos θ sin 2 θe ± 2iφ z (x ± iy )
4π 8 4π 8
7 5 7 5
3 ±3 sin 3 θe ±3iφ (x ± iy )3
4π 16 4π 16
9 1 9 1
4 0
4π 64
(
35 cos 4 θ − 30 cos 2 θ + 3 ) 4π 64
(
35 z 4 − 30 z 2 r 2 + 3r 4 )
9 5 9 5
4 ±1
4π 16
(
sin θ 7 cos3 θ − 3 cos θ e ±iφ )
4π 16
(
7 z 3 − 3zr 2 (x ± iy ) )
9 5 9 5
4 ±2
4π 32
(
sin 2 θ 7 cos 2 θ − 1 e ± 2iφ ) 4π 32
(
7 z 2 − r 2 (x ± iy ))2
9 35 9 35 3
4 ±3 sin 3 θ cosθe ±3iφ z (x ± iy )
4π 16 4π 16
9 35 9 35
4 ±4 sin 4 θe ± 4iφ (x ± iy )4
4π 128 4π 128
10