Thursday, May 6, 2010


GAMESS is a program for ab initio molecular quantum chemistry. Briefly, GAMESS can compute SCF wavefunctions ranging from RHF, ROHF, UHF, GVB, and MCSCF. Correlation corrections to these SCF wavefunctions include Configuration Interaction, second order perturbation Theory, and Coupled-Cluster approaches, as well as the Density Functional Theory approximation.

Important Information
  1. Jan Jensen's blog on GAMESS usage (especially on desktop platform):
  2. Google Groups discussion forum exists for GAMESS users

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