Implementation of a general multireference configuration interaction procedure with analytic gradients in a semiempirical context using the graphical unitary group approach.

Axel Koslowski Michael E. Beck Walter Thiel Implementation of a general multireference configuration interaction procedure with analytic gradients in a semiempirical context using the graphical unitary group approach. 714-726 2003 24 Journal of Computational Chemistry 6 http://dx.doi.org/10.1002/jcc.10210 db/journals/jcc/jcc24.html#KoslowskiBT03