share
Acta Chimica Sinica ›› 1988, Vol. 46 ›› Issue (5): 427-432. Previous Articles Next Articles
Original Articles
丁鄂江;丁涪江;张良辅;李广年
发布日期:
DING EJIANG;DING FUJIANG;ZHANG LIANGFU;LI GUANGNIAN
Published:
Share
A simplified Slater determinant used to calculate the total electron energy in a closed-shell system is described. This procedure can be used to carry out ab initio calcns. without resorting to MO coefficients and d. matrixes.h
Key words: MATHEMATICAL MODELS, WAVE FUNCTIONS, AB INITIO CALCULATION, MOLECULAR ORBITAL THEORY
CLC Number:
O641
DING EJIANG;DING FUJIANG;ZHANG LIANGFU;LI GUANGNIAN. The simplification of the energy formula of the single slater determinant wave function and its application[J]. Acta Chimica Sinica, 1988, 46(5): 427-432.
Export EndNote|Reference Manager|ProCite|BibTeX|RefWorks