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. Excited states can be computed by CI, EOM, or TD-DFT procedures. Nuclear gradients are available, for automatic geometry optimization, transition state searches, or reaction path following.
Save the obtained document in a special file format, which allows to keep all data in a single compressed file (uncompressed wave function takes up a lot of disk space!); at any time it is possible to open and continue working with the saved document, analyze, edit the data, send it to your colleagues, etc.
Wave Function Spartan Mac Cracked
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