Analytic energy second derivatives for general correlated wavefunctions, including a solution of the first-order coupled-perturbed configuration-interaction equations
Douglas J. Fox, Yoshihiro Osamura, Mark R. Hoffmann, Jeffrey F. Gaw, George Fitzgerald, Yukio Yamaguchi, Henry F. Schaefer IIIVolume:
102
Year:
1983
Language:
english
Pages:
3
DOI:
10.1016/0009-2614(83)80648-4
File:
PDF, 282 KB
english, 1983