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
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.