Analytic energy second derivatives for paired-excited multi-configuration self-consistent-field wavefunctions. Application of the PE MCSCF model to H2O, CH2, HCN, HCCH, H2CO, NH3, CH4, and C2H4
Titel:
Analytic energy second derivatives for paired-excited multi-configuration self-consistent-field wavefunctions. Application of the PE MCSCF model to H2O, CH2, HCN, HCCH, H2CO, NH3, CH4, and C2H4
Auteur:
Duran, Miquel Yamaguchi, Yukio Remington, Richard B. Schaefer III, Henry F.