Puneet Varma (Editor)

Table of spherical harmonics

Updated on
Edit
Like
Comment
Share on FacebookTweet on TwitterShare on LinkedInShare on Reddit

This is a table of orthonormalized spherical harmonics that employ the Condon-Shortley phase up to degree l = 10. Some of these formulas give the "Cartesian" version. This assumes x, y, z, and r are related to θ and φ through the usual spherical-to-Cartesian coordinate transformation:

Contents

x = r sin θ cos φ y = r sin θ sin φ z = r cos θ

l = 0

Y 0 0 ( θ , φ ) = 1 2 1 π

l = 1

Y 1 1 ( θ , φ ) = 1 2 3 2 π e i φ sin θ = 1 2 3 2 π ( x i y ) r Y 1 0 ( θ , φ ) = 1 2 3 π cos θ = 1 2 3 π z r Y 1 1 ( θ , φ ) = 1 2 3 2 π e i φ sin θ = 1 2 3 2 π ( x + i y ) r

l = 2

Y 2 2 ( θ , φ ) = 1 4 15 2 π e 2 i φ sin 2 θ = 1 4 15 2 π ( x i y ) 2 r 2 Y 2 1 ( θ , φ ) = 1 2 15 2 π e i φ sin θ cos θ = 1 2 15 2 π ( x i y ) z r 2 Y 2 0 ( θ , φ ) = 1 4 5 π ( 3 cos 2 θ 1 ) = 1 4 5 π ( 2 z 2 x 2 y 2 ) r 2 Y 2 1 ( θ , φ ) = 1 2 15 2 π e i φ sin θ cos θ = 1 2 15 2 π ( x + i y ) z r 2 Y 2 2 ( θ , φ ) = 1 4 15 2 π e 2 i φ sin 2 θ = 1 4 15 2 π ( x + i y ) 2 r 2

l = 3

Y 3 3 ( θ , φ ) = 1 8 35 π e 3 i φ sin 3 θ = 1 8 35 π ( x i y ) 3 r 3 Y 3 2 ( θ , φ ) = 1 4 105 2 π e 2 i φ sin 2 θ cos θ = 1 4 105 2 π ( x i y ) 2 z r 3 Y 3 1 ( θ , φ ) = 1 8 21 π e i φ sin θ ( 5 cos 2 θ 1 ) = 1 8 21 π ( x i y ) ( 4 z 2 x 2 y 2 ) r 3 Y 3 0 ( θ , φ ) = 1 4 7 π ( 5 cos 3 θ 3 cos θ ) = 1 4 7 π z ( 2 z 2 3 x 2 3 y 2 ) r 3 Y 3 1 ( θ , φ ) = 1 8 21 π e i φ sin θ ( 5 cos 2 θ 1 ) = 1 8 21 π ( x + i y ) ( 4 z 2 x 2 y 2 ) r 3 Y 3 2 ( θ , φ ) = 1 4 105 2 π e 2 i φ sin 2 θ cos θ = 1 4 105 2 π ( x + i y ) 2 z r 3 Y 3 3 ( θ , φ ) = 1 8 35 π e 3 i φ sin 3 θ = 1 8 35 π ( x + i y ) 3 r 3

l = 4

Y 4 4 ( θ , φ ) = 3 16 35 2 π e 4 i φ sin 4 θ = 3 16 35 2 π ( x i y ) 4 r 4 Y 4 3 ( θ , φ ) = 3 8 35 π e 3 i φ sin 3 θ cos θ = 3 8 35 π ( x i y ) 3 z r 4 Y 4 2 ( θ , φ ) = 3 8 5 2 π e 2 i φ sin 2 θ ( 7 cos 2 θ 1 ) = 3 8 5 2 π ( x i y ) 2 ( 7 z 2 r 2 ) r 4 Y 4 1 ( θ , φ ) = 3 8 5 π e i φ sin θ ( 7 cos 3 θ 3 cos θ ) = 3 8 5 π ( x i y ) z ( 7 z 2 3 r 2 ) r 4 Y 4 0 ( θ , φ ) = 3 16 1 π ( 35 cos 4 θ 30 cos 2 θ + 3 ) = 3 16 1 π ( 35 z 4 30 z 2 r 2 + 3 r 4 ) r 4 Y 4 1 ( θ , φ ) = 3 8 5 π e i φ sin θ ( 7 cos 3 θ 3 cos θ ) = 3 8 5 π ( x + i y ) z ( 7 z 2 3 r 2 ) r 4 Y 4 2 ( θ , φ ) = 3 8 5 2 π e 2 i φ sin 2 θ ( 7 cos 2 θ 1 ) = 3 8 5 2 π ( x + i y ) 2 ( 7 z 2 r 2 ) r 4 Y 4 3 ( θ , φ ) = 3 8 35 π e 3 i φ sin 3 θ cos θ = 3 8 35 π ( x + i y ) 3 z r 4 Y 4 4 ( θ , φ ) = 3 16 35 2 π e 4 i φ sin 4 θ = 3 16 35 2 π ( x + i y ) 4 r 4

l = 5

Y 5 5 ( θ , φ ) = 3 32 77 π e 5 i φ sin 5 θ Y 5 4 ( θ , φ ) = 3 16 385 2 π e 4 i φ sin 4 θ cos θ Y 5 3 ( θ , φ ) = 1 32 385 π e 3 i φ sin 3 θ ( 9 cos 2 θ 1 ) Y 5 2 ( θ , φ ) = 1 8 1155 2 π e 2 i φ sin 2 θ ( 3 cos 3 θ cos θ ) Y 5 1 ( θ , φ ) = 1 16 165 2 π e i φ sin θ ( 21 cos 4 θ 14 cos 2 θ + 1 ) Y 5 0 ( θ , φ ) = 1 16 11 π ( 63 cos 5 θ 70 cos 3 θ + 15 cos θ ) Y 5 1 ( θ , φ ) = 1 16 165 2 π e i φ sin θ ( 21 cos 4 θ 14 cos 2 θ + 1 ) Y 5 2 ( θ , φ ) = 1 8 1155 2 π e 2 i φ sin 2 θ ( 3 cos 3 θ cos θ ) Y 5 3 ( θ , φ ) = 1 32 385 π e 3 i φ sin 3 θ ( 9 cos 2 θ 1 ) Y 5 4 ( θ , φ ) = 3 16 385 2 π e 4 i φ sin 4 θ cos θ Y 5 5 ( θ , φ ) = 3 32 77 π e 5 i φ sin 5 θ

l = 6

Y 6 6 ( θ , φ ) = 1 64 3003 π e 6 i φ sin 6 θ Y 6 5 ( θ , φ ) = 3 32 1001 π e 5 i φ sin 5 θ cos θ Y 6 4 ( θ , φ ) = 3 32 91 2 π e 4 i φ sin 4 θ ( 11 cos 2 θ 1 ) Y 6 3 ( θ , φ ) = 1 32 1365 π e 3 i φ sin 3 θ ( 11 cos 3 θ 3 cos θ ) Y 6 2 ( θ , φ ) = 1 64 1365 π e 2 i φ sin 2 θ ( 33 cos 4 θ 18 cos 2 θ + 1 ) Y 6 1 ( θ , φ ) = 1 16 273 2 π e i φ sin θ ( 33 cos 5 θ 30 cos 3 θ + 5 cos θ ) Y 6 0 ( θ , φ ) = 1 32 13 π ( 231 cos 6 θ 315 cos 4 θ + 105 cos 2 θ 5 ) Y 6 1 ( θ , φ ) = 1 16 273 2 π e i φ sin θ ( 33 cos 5 θ 30 cos 3 θ + 5 cos θ ) Y 6 2 ( θ , φ ) = 1 64 1365 π e 2 i φ sin 2 θ ( 33 cos 4 θ 18 cos 2 θ + 1 ) Y 6 3 ( θ , φ ) = 1 32 1365 π e 3 i φ sin 3 θ ( 11 cos 3 θ 3 cos θ ) Y 6 4 ( θ , φ ) = 3 32 91 2 π e 4 i φ sin 4 θ ( 11 cos 2 θ 1 ) Y 6 5 ( θ , φ ) = 3 32 1001 π e 5 i φ sin 5 θ cos θ Y 6 6 ( θ , φ ) = 1 64 3003 π e 6 i φ sin 6 θ

l = 7

Y 7 7 ( θ , φ ) = 3 64 715 2 π e 7 i φ sin 7 θ Y 7 6 ( θ , φ ) = 3 64 5005 π e 6 i φ sin 6 θ cos θ Y 7 5 ( θ , φ ) = 3 64 385 2 π e 5 i φ sin 5 θ ( 13 cos 2 θ 1 ) Y 7 4 ( θ , φ ) = 3 32 385 2 π e 4 i φ sin 4 θ ( 13 cos 3 θ 3 cos θ ) Y 7 3 ( θ , φ ) = 3 64 35 2 π e 3 i φ sin 3 θ ( 143 cos 4 θ 66 cos 2 θ + 3 ) Y 7 2 ( θ , φ ) = 3 64 35 π e 2 i φ sin 2 θ ( 143 cos 5 θ 110 cos 3 θ + 15 cos θ ) Y 7 1 ( θ , φ ) = 1 64 105 2 π e i φ sin θ ( 429 cos 6 θ 495 cos 4 θ + 135 cos 2 θ 5 ) Y 7 0 ( θ , φ ) = 1 32 15 π ( 429 cos 7 θ 693 cos 5 θ + 315 cos 3 θ 35 cos θ ) Y 7 1 ( θ , φ ) = 1 64 105 2 π e i φ sin θ ( 429 cos 6 θ 495 cos 4 θ + 135 cos 2 θ 5 ) Y 7 2 ( θ , φ ) = 3 64 35 π e 2 i φ sin 2 θ ( 143 cos 5 θ 110 cos 3 θ + 15 cos θ ) Y 7 3 ( θ , φ ) = 3 64 35 2 π e 3 i φ sin 3 θ ( 143 cos 4 θ 66 cos 2 θ + 3 ) Y 7 4 ( θ , φ ) = 3 32 385 2 π e 4 i φ sin 4 θ ( 13 cos 3 θ 3 cos θ ) Y 7 5 ( θ , φ ) = 3 64 385 2 π e 5 i φ sin 5 θ ( 13 cos 2 θ 1 ) Y 7 6 ( θ , φ ) = 3 64 5005 π e 6 i φ sin 6 θ cos θ Y 7 7 ( θ , φ ) = 3 64 715 2 π e 7 i φ sin 7 θ

l = 8

Y 8 8 ( θ , φ ) = 3 256 12155 2 π e 8 i φ sin 8 θ Y 8 7 ( θ , φ ) = 3 64 12155 2 π e 7 i φ sin 7 θ cos θ Y 8 6 ( θ , φ ) = 1 128 7293 π e 6 i φ sin 6 θ ( 15 cos 2 θ 1 ) Y 8 5 ( θ , φ ) = 3 64 17017 2 π e 5 i φ sin 5 θ ( 5 cos 3 θ cos θ ) Y 8 4 ( θ , φ ) = 3 128 1309 2 π e 4 i φ sin 4 θ ( 65 cos 4 θ 26 cos 2 θ + 1 ) Y 8 3 ( θ , φ ) = 1 64 19635 2 π e 3 i φ sin 3 θ ( 39 cos 5 θ 26 cos 3 θ + 3 cos θ ) Y 8 2 ( θ , φ ) = 3 128 595 π e 2 i φ sin 2 θ ( 143 cos 6 θ 143 cos 4 θ + 33 cos 2 θ 1 ) Y 8 1 ( θ , φ ) = 3 64 17 2 π e i φ sin θ ( 715 cos 7 θ 1001 cos 5 θ + 385 cos 3 θ 35 cos θ ) Y 8 0 ( θ , φ ) = 1 256 17 π ( 6435 cos 8 θ 12012 cos 6 θ + 6930 cos 4 θ 1260 cos 2 θ + 35 ) Y 8 1 ( θ , φ ) = 3 64 17 2 π e i φ sin θ ( 715 cos 7 θ 1001 cos 5 θ + 385 cos 3 θ 35 cos θ ) Y 8 2 ( θ , φ ) = 3 128 595 π e 2 i φ sin 2 θ ( 143 cos 6 θ 143 cos 4 θ + 33 cos 2 θ 1 ) Y 8 3 ( θ , φ ) = 1 64 19635 2 π e 3 i φ sin 3 θ ( 39 cos 5 θ 26 cos 3 θ + 3 cos θ ) Y 8 4 ( θ , φ ) = 3 128 1309 2 π e 4 i φ sin 4 θ ( 65 cos 4 θ 26 cos 2 θ + 1 ) Y 8 5 ( θ , φ ) = 3 64 17017 2 π e 5 i φ sin 5 θ ( 5 cos 3 θ cos θ ) Y 8 6 ( θ , φ ) = 1 128 7293 π e 6 i φ sin 6 θ ( 15 cos 2 θ 1 ) Y 8 7 ( θ , φ ) = 3 64 12155 2 π e 7 i φ sin 7 θ cos θ Y 8 8 ( θ , φ ) = 3 256 12155 2 π e 8 i φ sin 8 θ

l = 9

Y 9 9 ( θ , φ ) = 1 512 230945 π e 9 i φ sin 9 θ Y 9 8 ( θ , φ ) = 3 256 230945 2 π e 8 i φ sin 8 θ cos θ Y 9 7 ( θ , φ ) = 3 512 13585 π e 7 i φ sin 7 θ ( 17 cos 2 θ 1 ) Y 9 6 ( θ , φ ) = 1 128 40755 π e 6 i φ sin 6 θ ( 17 cos 3 θ 3 cos θ ) Y 9 5 ( θ , φ ) = 3 256 2717 π e 5 i φ sin 5 θ ( 85 cos 4 θ 30 cos 2 θ + 1 ) Y 9 4 ( θ , φ ) = 3 128 95095 2 π e 4 i φ sin 4 θ ( 17 cos 5 θ 10 cos 3 θ + cos θ ) Y 9 3 ( θ , φ ) = 1 256 21945 π e 3 i φ sin 3 θ ( 221 cos 6 θ 195 cos 4 θ + 39 cos 2 θ 1 ) Y 9 2 ( θ , φ ) = 3 128 1045 π e 2 i φ sin 2 θ ( 221 cos 7 θ 273 cos 5 θ + 91 cos 3 θ 7 cos θ ) Y 9 1 ( θ , φ ) = 3 256 95 2 π e i φ sin θ ( 2431 cos 8 θ 4004 cos 6 θ + 2002 cos 4 θ 308 cos 2 θ + 7 ) Y 9 0 ( θ , φ ) = 1 256 19 π ( 12155 cos 9 θ 25740 cos 7 θ + 18018 cos 5 θ 4620 cos 3 θ + 315 cos θ ) Y 9 1 ( θ , φ ) = 3 256 95 2 π e i φ sin θ ( 2431 cos 8 θ 4004 cos 6 θ + 2002 cos 4 θ 308 cos 2 θ + 7 ) Y 9 2 ( θ , φ ) = 3 128 1045 π e 2 i φ sin 2 θ ( 221 cos 7 θ 273 cos 5 θ + 91 cos 3 θ 7 cos θ ) Y 9 3 ( θ , φ ) = 1 256 21945 π e 3 i φ sin 3 θ ( 221 cos 6 θ 195 cos 4 θ + 39 cos 2 θ 1 ) Y 9 4 ( θ , φ ) = 3 128 95095 2 π e 4 i φ sin 4 θ ( 17 cos 5 θ 10 cos 3 θ + cos θ ) Y 9 5 ( θ , φ ) = 3 256 2717 π e 5 i φ sin 5 θ ( 85 cos 4 θ 30 cos 2 θ + 1 ) Y 9 6 ( θ , φ ) = 1 128 40755 π e 6 i φ sin 6 θ ( 17 cos 3 θ 3 cos θ ) Y 9 7 ( θ , φ ) = 3 512 13585 π e 7 i φ sin 7 θ ( 17 cos 2 θ 1 ) Y 9 8 ( θ , φ ) = 3 256 230945 2 π e 8 i φ sin 8 θ cos θ Y 9 9 ( θ , φ ) = 1 512 230945 π e 9 i φ sin 9 θ

l = 10

Y 10 10 ( θ , φ ) = 1 1024 969969 π e 10 i φ sin 10 θ Y 10 9 ( θ , φ ) = 1 512 4849845 π e 9 i φ sin 9 θ cos θ Y 10 8 ( θ , φ ) = 1 512 255255 2 π e 8 i φ sin 8 θ ( 19 cos 2 θ 1 ) Y 10 7 ( θ , φ ) = 3 512 85085 π e 7 i φ sin 7 θ ( 19 cos 3 θ 3 cos θ ) Y 10 6 ( θ , φ ) = 3 1024 5005 π e 6 i φ sin 6 θ ( 323 cos 4 θ 102 cos 2 θ + 3 ) Y 10 5 ( θ , φ ) = 3 256 1001 π e 5 i φ sin 5 θ ( 323 cos 5 θ 170 cos 3 θ + 15 cos θ ) Y 10 4 ( θ , φ ) = 3 256 5005 2 π e 4 i φ sin 4 θ ( 323 cos 6 θ 255 cos 4 θ + 45 cos 2 θ 1 ) Y 10 3 ( θ , φ ) = 3 256 5005 π e 3 i φ sin 3 θ ( 323 cos 7 θ 357 cos 5 θ + 105 cos 3 θ 7 cos θ ) Y 10 2 ( θ , φ ) = 3 512 385 2 π e 2 i φ sin 2 θ ( 4199 cos 8 θ 6188 cos 6 θ + 2730 cos 4 θ 364 cos 2 θ + 7 ) Y 10 1 ( θ , φ ) = 1 256 1155 2 π e i φ sin θ ( 4199 cos 9 θ 7956 cos 7 θ + 4914 cos 5 θ 1092 cos 3 θ + 63 cos θ ) Y 10 0 ( θ , φ ) = 1 512 21 π ( 46189 cos 10 θ 109395 cos 8 θ + 90090 cos 6 θ 30030 cos 4 θ + 3465 cos 2 θ 63 ) Y 10 1 ( θ , φ ) = 1 256 1155 2 π e i φ sin θ ( 4199 cos 9 θ 7956 cos 7 θ + 4914 cos 5 θ 1092 cos 3 θ + 63 cos θ ) Y 10 2 ( θ , φ ) = 3 512 385 2 π e 2 i φ sin 2 θ ( 4199 cos 8 θ 6188 cos 6 θ + 2730 cos 4 θ 364 cos 2 θ + 7 ) Y 10 3 ( θ , φ ) = 3 256 5005 π e 3 i φ sin 3 θ ( 323 cos 7 θ 357 cos 5 θ + 105 cos 3 θ 7 cos θ ) Y 10 4 ( θ , φ ) = 3 256 5005 2 π e 4 i φ sin 4 θ ( 323 cos 6 θ 255 cos 4 θ + 45 cos 2 θ 1 ) Y 10 5 ( θ , φ ) = 3 256 1001 π e 5 i φ sin 5 θ ( 323 cos 5 θ 170 cos 3 θ + 15 cos θ ) Y 10 6 ( θ , φ ) = 3 1024 5005 π e 6 i φ sin 6 θ ( 323 cos 4 θ 102 cos 2 θ + 3 ) Y 10 7 ( θ , φ ) = 3 512 85085 π e 7 i φ sin 7 θ ( 19 cos 3 θ 3 cos θ ) Y 10 8 ( θ , φ ) = 1 512 255255 2 π e 8 i φ sin 8 θ ( 19 cos 2 θ 1 ) Y 10 9 ( θ , φ ) = 1 512 4849845 π e 9 i φ sin 9 θ cos θ Y 10 10 ( θ , φ ) = 1 1024 969969 π e 10 i φ sin 10 θ

Real spherical harmonics

For each real spherical harmonic, the corresponding atomic orbital symbol (s, p, d, f, g) is reported as well.

l = 0

Y 00 = s = Y 0 0 = 1 2 1 π

l = 1

Y 1 , 1 = p y = i 1 2 ( Y 1 1 + Y 1 1 ) = 3 4 π y r Y 1 , 0 = p z = Y 1 0 = 3 4 π z r Y 1 , 1 = p x = 1 2 ( Y 1 1 Y 1 1 ) = 3 4 π x r

l = 2

Y 2 , 2 = d x y = i 1 2 ( Y 2 2 Y 2 2 ) = 1 2 15 π x y r 2 Y 2 , 1 = d y z = i 1 2 ( Y 2 1 + Y 2 1 ) = 1 2 15 π y z r 2 Y 2 , 0 = d z 2 = Y 2 0 = 1 4 5 π x 2 y 2 + 2 z 2 r 2 Y 2 , 1 = d x z = 1 2 ( Y 2 1 Y 2 1 ) = 1 2 15 π z x r 2 Y 2 , 2 = d x 2 y 2 = 1 2 ( Y 2 2 + Y 2 2 ) = 1 4 15 π x 2 y 2 r 2

l = 3

Y 3 , 3 = f y ( 3 x 2 y 2 ) = i 1 2 ( Y 3 3 + Y 3 3 ) = 1 4 35 2 π ( 3 x 2 y 2 ) y r 3 Y 3 , 2 = f x y z = i 1 2 ( Y 3 2 Y 3 2 ) = 1 2 105 π x y z r 3 Y 3 , 1 = f y z 2 = i 1 2 ( Y 3 1 + Y 3 1 ) = 1 4 21 2 π y ( 4 z 2 x 2 y 2 ) r 3 Y 3 , 0 = f z 3 = Y 3 0 = 1 4 7 π z ( 2 z 2 3 x 2 3 y 2 ) r 3 Y 3 , 1 = f x z 2 = 1 2 ( Y 3 1 Y 3 1 ) = 1 4 21 2 π x ( 4 z 2 x 2 y 2 ) r 3 Y 3 , 2 = f z ( x 2 y 2 ) = 1 2 ( Y 3 2 + Y 3 2 ) = 1 4 105 π ( x 2 y 2 ) z r 3 Y 3 , 3 = f x ( x 2 3 y 2 ) = 1 2 ( Y 3 3 Y 3 3 ) = 1 4 35 2 π ( x 2 3 y 2 ) x r 3

l = 4

Y 4 , 4 = g x y ( x 2 y 2 ) = i 1 2 ( Y 4 4 Y 4 4 ) = 3 4 35 π x y ( x 2 y 2 ) r 4 Y 4 , 3 = g z y 3 = i 1 2 ( Y 4 3 + Y 4 3 ) = 3 4 35 2 π ( 3 x 2 y 2 ) y z r 4 Y 4 , 2 = g z 2 x y = i 1 2 ( Y 4 2 Y 4 2 ) = 3 4 5 π x y ( 7 z 2 r 2 ) r 4 Y 4 , 1 = g z 3 y = i 1 2 ( Y 4 1 + Y 4 1 ) = 3 4 5 2 π y z ( 7 z 2 3 r 2 ) r 4 Y 4 , 0 = g z 4 = Y 4 0 = 3 16 1 π ( 35 z 4 30 z 2 r 2 + 3 r 4 ) r 4 Y 4 , 1 = g z 3 x = 1 2 ( Y 4 1 Y 4 1 ) = 3 4 5 2 π x z ( 7 z 2 3 r 2 ) r 4 Y 4 , 2 = g z 2 x y = 1 2 ( Y 4 2 + Y 4 2 ) = 3 8 5 π ( x 2 y 2 ) ( 7 z 2 r 2 ) r 4 Y 4 , 3 = g z x 3 = 1 2 ( Y 4 3 Y 4 3 ) = 3 4 35 2 π ( x 2 3 y 2 ) x z r 4 Y 4 , 4 = g x 4 + y 4 = 1 2 ( Y 4 4 + Y 4 4 ) = 3 16 35 π x 2 ( x 2 3 y 2 ) y 2 ( 3 x 2 y 2 ) r 4

References

Table of spherical harmonics Wikipedia