Next: 25.5 The DIIS directive Up: 25 THE CLOSED SHELL Previous: 25.3.1 The BRUECKNER directive


25.4 Singles-doubles configuration interaction, CISD

Performs closed-shell configuration interaction, CISD. The same results as with the CI program are obtained, but this code is somewhat faster. Normally, no further input is needed. For specifying DIIS directives, see section 21.5



molpro@molpro.net
Feb 26, 2003