NEW APPROACH TO PRINCIPLES OF CONSTRUCTING WAVE-FUNCTIONS FOR MULTIELECTRON SYSTEMS

Authors
Citation
Ea. Smolenskii, NEW APPROACH TO PRINCIPLES OF CONSTRUCTING WAVE-FUNCTIONS FOR MULTIELECTRON SYSTEMS, Russian chemical bulletin, 44(9), 1995, pp. 1598-1605
Citations number
22
Categorie Soggetti
Chemistry
Journal title
ISSN journal
10665285
Volume
44
Issue
9
Year of publication
1995
Pages
1598 - 1605
Database
ISI
SICI code
1066-5285(1995)44:9<1598:NATPOC>2.0.ZU;2-P
Abstract
Analysis of the relationship between the structure of the symmetrical permutation group and the topological structure of the configuration s pace makes it possible to perform complete separation of spin and spat ial variables for multielectron wave functions. This separation of var iables allows one to explain the role of nodal surfaces in interpretin g and understanding the physical sense of the Pauli principle for syst ems of fermions. The suggested hypothesis about the form of the nodal surfaces permits one to find these surfaces a priori for arbitrary mul tielectron systems. The use of nodal surfaces for constructing trial w ave functions is demonstrated with the example of calculating the ener gy of the Li atom in the ground state.