ROLE OF WAVE-FUNCTIONS NODAL SURFACES IN INTERPRETATION OF THE PAULI PRINCIPLE

Citation
Ea. Smolenskii et al., ROLE OF WAVE-FUNCTIONS NODAL SURFACES IN INTERPRETATION OF THE PAULI PRINCIPLE, Journal of chemical information and computer sciences, 36(3), 1996, pp. 402-408
Citations number
21
Categorie Soggetti
Information Science & Library Science","Computer Application, Chemistry & Engineering","Computer Science Interdisciplinary Applications",Chemistry,"Computer Science Information Systems
ISSN journal
00952338
Volume
36
Issue
3
Year of publication
1996
Pages
402 - 408
Database
ISI
SICI code
0095-2338(1996)36:3<402:ROWNSI>2.0.ZU;2-O
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 by the example of calculating the energy of the Li atom in the ground state.