๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

A study of localized molecular orbitals by the group theory method and its approach to the many-electron correlation problem: Part 1. Group symmetric localized molecular orbitals

โœ Scribed by Taijin Zhou

Book ID
113257423
Publisher
Elsevier Science
Year
1991
Tongue
English
Weight
749 KB
Volume
236
Category
Article
ISSN
0166-1280

No coin nor oath required. For personal study only.

๐Ÿ“œ SIMILAR VOLUMES

Study of localized molecular orbitals us
Study of localized molecular orbitals using group theory methods and its approach to the many-electron correlation problem. III. Orthogonal bonded functions
โœ Taijin Zhou ๐Ÿ“‚ Article ๐Ÿ“… 1993 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 627 KB

using the group symmetrical localized molecular orbitals (SLhfOs) as configuration-generating orbitals (CGOs) of many-electron wave functions, the symmetry adaptation of many-electron spaces is greatly simplified, and novel orthogonal bonded functions (OBFs), as complete space-and spin-adapted antis

Study of localized molecular orbitals us
Study of localized molecular orbitals using group theory methods and its approach to the many-electron correlation problem. IV. The symmetry-adaptation of many-center integrals and hamiltonian matrix elements in MCSCF calculations
โœ Taijin Zhou; Aimin Liu ๐Ÿ“‚ Article ๐Ÿ“… 1994 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 682 KB

Group theoretic methods are presented for the transformations of integrals and the evaluation of matrix elements encountered in multiconfigurational self-consistent field (MCSCF) and configuration interaction (CI) calculations. The method has the advantages of needing only to deal with a symmetry un