TRANSFORMATION BETWEEN CARTESIAN AND PURE SPHERICAL HARMONIC GAUSSIANS

Authors
SCHLEGEL HB FRISCH MJ
Citation
Hb. Schlegel et Mj. Frisch, TRANSFORMATION BETWEEN CARTESIAN AND PURE SPHERICAL HARMONIC GAUSSIANS, International journal of quantum chemistry, 54(2), 1995, pp. 83-87
Citations number
24
Categorie Soggetti
Chemistry Physical
Journal title
International journal of quantum chemistry → ACNP
ISSN journal
00207608
Volume
54
Issue
2
Year of publication
1995
Pages
83 - 87
Database
ISI
SICI code
0020-7608(1995)54:2<83:TBCAPS>2.0.ZU;2-Y
Abstract
Spherical Gaussians can be expressed as linear combinations of the app ropriate Cartesian Gaussians. General expressions for the transformati on coefficients are given. Values for the transformation coefficients are tabulated up to h-type functions. (C) 1995 John Wiley & Sons, Inc.