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Transformation between Cartesian and pure spherical harmonic Gaussians
Author(s) -
Schlegel H. Bernhard,
Frisch Michael J.
Publication year - 1995
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560540202
Subject(s) - transformation (genetics) , cartesian coordinate system , spherical harmonics , harmonic , mathematics , mathematical analysis , physics , pure mathematics , geometry , chemistry , quantum mechanics , biochemistry , gene
Abstract Spherical Gaussians can be expressed as linear combinations of the appropriate Cartesian Gaussians. General expressions for the transformation coefficients are given. Values for the transformation coefficients are tabulated up to h ‐type functions. © 1995 John Wiley & Sons, Inc.