화학공학소재연구정보센터
Chemical Physics Letters, Vol.320, No.5-6, 542-548, 2000
T-5 operator in coupled cluster calculations
The first attempt to include the connected pentuple excitation, T-5, into the coupled cluster method is reported. Construction of the lowest order, i.e. fourth-order T-5 operator requires an inclusion of eight diagrammatic terms into the T-5 equation. The method is applied to several small systems for which a comparison with full configuration interaction results can be made.