The Chemistry Maths Book, Second Edition

(Grace) #1

14.6 The hydrogen atom 405


are called spherical harmonics. They occur whenever a physical problem in three


dimensions is formulated in spherical polar coordinates.*Some of these functions


are listed in Table 14.1. The functions are complex whenm 1 ≠ 10 and (see equations


(14.63)) it is sometimes more convenient to use the corresponding real functions


(14.69)


Spherical harmonics multiplied by the factorr


l

are called solid harmonics, and the


real forms of these are also listed in the table, with their conventional names in atomic


structure theory.


By virtue of the orthonormality relations (14.64) and (14.67), the spherical harmonics


form an orthonormal set over a complete solid angle (θ 1 = 101 → 1 π, φ 1 = 101 → 12 π):


(14.70)


Table 14.1


Spherical harmonics Solid harmonics (real)


Angular momentum


The angular equation (14.56) can be written as the eigenvalue equation (with


appropriate units)


− (14.71)




























2

2

2

2

11


sin


sin


sin


θθ


θ


θ
θ φ




=+


,,

Yll Y


lm lm

()1


2




dxyd


xy

xy

22

12

22

12

15


16


15


4



=








−, =







ππ


()


xy
Ye


i

22

12

22

15


32



±

=








π


sin θ


φ

dxzdyz


xz yz

=







 ,=








12 12

15


4


15


ππ 4


Ye


i

21

12

15


8



±

=








π


sin cosθθ


φ

dzr


z

2

12

22

5


8


= 3









π


()
Y


20

12

2

5


16


31


,

=









π


( cos θ )


pxpy


xy

=







 ,=








12 12

3


4


3


ππ 4


Ye


i

11

12

3


8



±

=








π


sinθ


φ

pz


z

=








12

3


4 π


Y


10

12

3


4


,

=








π


cosθ


s=








12

1


4 π


Y


00

12

1


4


,

=








π


ZZ


0

2

0

ππ

YY dd


lm, l m′, ′ ll,′

*( ) ( )sinθθθθ,,φφ φδδ=


mmm, ′

1


2


1


2


()()YY 0


i


YY m


lm l m,,− lm l m,,−

+, − , >


*The spherical harmonics are often defined with an additional ‘phase factor’(−1)


(m 1 + 1 |m|) 22

that multiplies the


function by (−1)when mis odd and positive.

Free download pdf