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Table of spherical harmonics: Difference between revisions

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l = 2: There is a typo; the prefactors in Y_{2,-2} and Y_{2,2} should be the same. The error also occurs in M.A. Blanco et al./Journal of Molecular Structure (Theochem) 419 (1997) 19–27
Undid revision 726987654 by 172.56.42.23 (talk): the suggested error in the formula is not an error, the original formula is correct (see also discussion on talk page)
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Y_{2,-2} & = d_{xy} = i \sqrt{\frac{1}{2}} \left( Y_2^{- 2} - Y_2^2\right) = \frac{1}{4} \sqrt{\frac{15}{\pi}} \cdot \frac{x y}{r^2} \\
Y_{2,-2} & = d_{xy} = i \sqrt{\frac{1}{2}} \left( Y_2^{- 2} - Y_2^2\right) = \frac{1}{2} \sqrt{\frac{15}{\pi}} \cdot \frac{x y}{r^2} \\
Y_{2,-1} & = d_{yz} = i \sqrt{\frac{1}{2}} \left( Y_2^{- 1} + Y_2^1 \right) = \frac{1}{2} \sqrt{\frac{15}{\pi}} \cdot \frac{y z}{r^2} \\
Y_{2,-1} & = d_{yz} = i \sqrt{\frac{1}{2}} \left( Y_2^{- 1} + Y_2^1 \right) = \frac{1}{2} \sqrt{\frac{15}{\pi}} \cdot \frac{y z}{r^2} \\
Y_{20} & = d_{z^2} = Y_2^0 = \frac{1}{4} \sqrt{\frac{5}{\pi}} \cdot \frac{- x^2 - y^2 + 2 z^2}{r^2} \\
Y_{20} & = d_{z^2} = Y_2^0 = \frac{1}{4} \sqrt{\frac{5}{\pi}} \cdot \frac{- x^2 - y^2 + 2 z^2}{r^2} \\

Revision as of 23:25, 25 June 2016

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 and through the usual spherical-to-Cartesian coordinate transformation:

Spherical harmonics

l = 0[1]

l = 1[1]

l = 2[1]

l = 3[1]

l = 4[1]

l = 5[1]

l = 6

l = 7

l = 8

l = 9

l = 10

Real spherical harmonics

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

l = 0[2][3]

l = 1[2][3]

l = 2[2][3]

l = 3[2]

l = 4

See also

References

Cited references
  1. ^ a b c d e f D. A. Varshalovich; A. N. Moskalev; V. K. Khersonskii (1988). Quantum theory of angular momentum : irreducible tensors, spherical harmonics, vector coupling coefficients, 3nj symbols (1. repr. ed.). Singapore: World Scientific Pub. pp. 155–156. ISBN 9971-50-107-4.
  2. ^ a b c d C.D.H. Chisholm (1976). Group theoretical techniques in quantum chemistry. New York: Academic Press. ISBN 0-12-172950-8.
  3. ^ a b c Blanco, Miguel A.; Flórez, M.; Bermejo, M. (1 December 1997). "Evaluation of the rotation matrices in the basis of real spherical harmonics". Journal of Molecular Structure: THEOCHEM. 419 (1–3): 19–27. doi:10.1016/S0166-1280(97)00185-1.
General references