USING MANY-PARTICLE BASIS-SETS FOR ELECTRONIC-ENERGY CALCULATIONS OF MOLECULES

Citation
Vp. Morozov et Kg. Vinogradov, USING MANY-PARTICLE BASIS-SETS FOR ELECTRONIC-ENERGY CALCULATIONS OF MOLECULES, Journal of structural chemistry, 38(3), 1997, pp. 337-342
Citations number
5
ISSN journal
00224766
Volume
38
Issue
3
Year of publication
1997
Pages
337 - 342
Database
ISI
SICI code
0022-4766(1997)38:3<337:UMBFEC>2.0.ZU;2-B
Abstract
A method of calculating the electronic energies of molecules using a m any-particle basis set is proposed. In this case, the many-particle Sc hrodinger equation may be solved without resorting to the one-electron approximation. The results of the electronic energy calculations of s ome two-electron systems are in good agreement with experimental resul ts.