Application of an improved self-consistent field method for molecular systems in the representation of basis expansions
Teoretičeskaâ i matematičeskaâ fizika, Tome 30 (1977) no. 1, pp. 123-132
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Wave functions of states of electron system are represented in the form of the sum
of binary products of the many-electron coordinate functions by the many-electron
spin functions. Mean energy of arbitrary state is calculated using these functions and
the generalized equations of self-consistent field are obtained by means of varying this
energy. Molecular orbitals are represented as the expansions over symmetrised base
functions. Equations are expressed in the representation of base expansions. The coordinate
genealogical coefficients necessary for the calculations are evaluated for the group
$O(T_d)$ and tabulated.
@article{TMF_1977_30_1_a13,
author = {S. E. Krestnikov},
title = {Application of an improved self-consistent field method for molecular systems in the representation of basis expansions},
journal = {Teoreti\v{c}eska\^a i matemati\v{c}eska\^a fizika},
pages = {123--132},
publisher = {mathdoc},
volume = {30},
number = {1},
year = {1977},
language = {ru},
url = {http://geodesic.mathdoc.fr/item/TMF_1977_30_1_a13/}
}
TY - JOUR AU - S. E. Krestnikov TI - Application of an improved self-consistent field method for molecular systems in the representation of basis expansions JO - Teoretičeskaâ i matematičeskaâ fizika PY - 1977 SP - 123 EP - 132 VL - 30 IS - 1 PB - mathdoc UR - http://geodesic.mathdoc.fr/item/TMF_1977_30_1_a13/ LA - ru ID - TMF_1977_30_1_a13 ER -
%0 Journal Article %A S. E. Krestnikov %T Application of an improved self-consistent field method for molecular systems in the representation of basis expansions %J Teoretičeskaâ i matematičeskaâ fizika %D 1977 %P 123-132 %V 30 %N 1 %I mathdoc %U http://geodesic.mathdoc.fr/item/TMF_1977_30_1_a13/ %G ru %F TMF_1977_30_1_a13
S. E. Krestnikov. Application of an improved self-consistent field method for molecular systems in the representation of basis expansions. Teoretičeskaâ i matematičeskaâ fizika, Tome 30 (1977) no. 1, pp. 123-132. http://geodesic.mathdoc.fr/item/TMF_1977_30_1_a13/