MOLECULAR INTEGRALS OVER REAL SOLID SPHERICAL GAUSSIAN-TYPE FUNCTIONS

Authors
MATSUOKA O
Citation
O. Matsuoka, MOLECULAR INTEGRALS OVER REAL SOLID SPHERICAL GAUSSIAN-TYPE FUNCTIONS, The Journal of chemical physics, 108(3), 1998, pp. 1063-1067
Citations number
24
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
The Journal of chemical physics → ACNP
ISSN journal
00219606
Volume
108
Issue
3
Year of publication
1998
Pages
1063 - 1067
Database
ISI
SICI code
0021-9606(1998)108:3<1063:MIORSS>2.0.ZU;2-A
Abstract
Compact formulas are derived of molecular energy integrals over real s olid spherical Gaussian-type functions using the Talmi transformation. A new method for calculating the Talmi coefficients is presented, whi ch does not require angular-momentum algebra of 3j and 9j symbols. (C) 1998 American Institute of Physics. [S0021-9606(98)01103-9].