GENERALIZED-METHOD FOR SOLVING MULTICENTER MOLECULAR INTEGRALS OF SLATER-TYPE ORBITALS

Authors
TAI H
Citation
H. Tai, GENERALIZED-METHOD FOR SOLVING MULTICENTER MOLECULAR INTEGRALS OF SLATER-TYPE ORBITALS, Zhongguo wuli xuekan, 32(6), 1994, pp. 847-862
Citations number
15
Categorie Soggetti
Physics
Journal title
Zhongguo wuli xuekan → ACNP
ISSN journal
05779073
Volume
32
Issue
6
Year of publication
1994
Part
1
Pages
847 - 862
Database
ISI
SICI code
0577-9073(1994)32:6<847:GFSMMI>2.0.ZU;2-H
Abstract
By introducing irreducible tensorial operators, the recently developed method of solving multi-center molecular integrals by coupling the tw o-center exchange integrals with a Fourier transform scheme is further generalized to handle any Slater type orbitals of arbitrarily higher angular momentum states. Numerical procedures can be applied to the fi nal expressions to obtain numerical results.