TOPOLOGICAL-STRUCTURE OF THE CONFIGURATION-SPACE AND THE SEPARATION OF SPIN AND SPATIAL VARIABLES FOR N-ELECTRON SYSTEMS

Authors
SHPILKIN SA SMOLENSKII EA ZEFIROV NS
Citation
Sa. Shpilkin et al., TOPOLOGICAL-STRUCTURE OF THE CONFIGURATION-SPACE AND THE SEPARATION OF SPIN AND SPATIAL VARIABLES FOR N-ELECTRON SYSTEMS, Journal of chemical information and computer sciences, 36(3), 1996, pp. 409-412
Citations number
12
Categorie Soggetti
Information Science & Library Science","Computer Application, Chemistry & Engineering","Computer Science Interdisciplinary Applications",Chemistry,"Computer Science Information Systems
Journal title
Journal of chemical information and computer sciences → ACNP
ISSN journal
00952338
Volume
36
Issue
3
Year of publication
1996
Pages
409 - 412
Database
ISI
SICI code
0095-2338(1996)36:3<409:TOTCAT>2.0.ZU;2-#
Abstract
The relationship between the topological structure of the multidimensi onal configuration space and the structure of the symmetrical permutat ion group SN is analyzed. This relationship permits to separate the sp in and spatial variables during the solution of the spinless stationar y Schrodinger equation. It is possible to simplify the construction of wave functions for N-electron systems and to expand the class of tria l functions in the variation method. The relation of the suggested app roach to the construction of wave functions by traditional methods is demonstrated by the example of three-electron systems.