ANALYTICAL EVALUATION OF MOLECULAR ELECTRIC AND MAGNETIC MULTIPOLE MOMENT INTEGRALS OVER SLATER-TYPE ORBITALS

Authors
GUSEINOV II
Citation
Ii. Guseinov, ANALYTICAL EVALUATION OF MOLECULAR ELECTRIC AND MAGNETIC MULTIPOLE MOMENT INTEGRALS OVER SLATER-TYPE ORBITALS, International journal of quantum chemistry, 68(3), 1998, pp. 145-150
Citations number
12
Categorie Soggetti
Chemistry Physical
Journal title
International journal of quantum chemistry → ACNP
ISSN journal
00207608
Volume
68
Issue
3
Year of publication
1998
Pages
145 - 150
Database
ISI
SICI code
0020-7608(1998)68:3<145:AEOMEA>2.0.ZU;2-U
Abstract
The analytical expressions are derived for the magnetic multipole mome nt integrals in terms of electric multipole moment integrals for which the closed formulas through the overlap integrals are obtained. By th e use of the derived expressions in terms of overlap integrals, the el ectric and magnetic multipole moment integrals, the electric and magne tic properties of molecules can be evaluated most efficiently and accu rately. (C) 1998 John Wiley & Sons, Inc.