Spherical harmonics are of considerable importance for computations
involving basis functions corresponding to large values of the angular
momentum quantum number l. Their use allows efficient coding of programs
involving such basis functions because the formulae of the coupling
coefficients are simple. The choice of real spherical harmonics allows
one to avoid the use of complex quantities in computer programs that
increase storage and CPU time requirements. In this paper, certain
properties of the coupling coefficients for real spherical harmonics
are derived that are necessary for an efficient computation of coupling
terms.
%0 Journal Article
%1 Homeier1996
%A Homeier, Herbert H. H.
%A Steinborn, E. Otto
%D 1996
%J Journal of Molecular Structure: THEOCHEM
%K Ab Basis Coupling Gaunt Selection Symmetry coefficient; function; initio program; relation rule;
%N 1-3
%P 31-37
%R 10.1016/S0166-1280(96)04591-5
%T Some properties of the coupling coefficients of real spherical harmonics
and their relation to Gaunt coefficients
%V 368
%X Spherical harmonics are of considerable importance for computations
involving basis functions corresponding to large values of the angular
momentum quantum number l. Their use allows efficient coding of programs
involving such basis functions because the formulae of the coupling
coefficients are simple. The choice of real spherical harmonics allows
one to avoid the use of complex quantities in computer programs that
increase storage and CPU time requirements. In this paper, certain
properties of the coupling coefficients for real spherical harmonics
are derived that are necessary for an efficient computation of coupling
terms.
@article{Homeier1996,
abstract = {Spherical harmonics are of considerable importance for computations
involving basis functions corresponding to large values of the angular
momentum quantum number l. Their use allows efficient coding of programs
involving such basis functions because the formulae of the coupling
coefficients are simple. The choice of real spherical harmonics allows
one to avoid the use of complex quantities in computer programs that
increase storage and CPU time requirements. In this paper, certain
properties of the coupling coefficients for real spherical harmonics
are derived that are necessary for an efficient computation of coupling
terms.},
added-at = {2009-09-09T19:13:38.000+0200},
author = {Homeier, Herbert H. H. and Steinborn, E. Otto},
biburl = {https://www.bibsonomy.org/bibtex/29120d1ce0fe062117d3c36aada206606/pbuczek},
doi = {10.1016/S0166-1280(96)04591-5},
file = {Homeier1996.pdf:Homeier1996.pdf:PDF;Homeier1996.pdf:Homeier1996.pdf:PDF},
interhash = {77d6c89322ba8ff052e94c2ba13ed854},
intrahash = {9120d1ce0fe062117d3c36aada206606},
journal = {Journal of Molecular Structure: THEOCHEM},
keywords = {Ab Basis Coupling Gaunt Selection Symmetry coefficient; function; initio program; relation rule;},
month = {September},
number = {1-3 },
owner = {pbuczek},
pages = {31-37},
pdf = {Homeier1996.pdf},
timestamp = {2009-09-09T19:13:38.000+0200},
title = {Some properties of the coupling coefficients of real spherical harmonics
and their relation to Gaunt coefficients},
volume = 368,
year = 1996
}