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URL: http://www.msg.chem.iastate.edu/gamess/
Proper Citation: Gamess (RRID:SCR_014896)
Description: Software program for ab initio molecular quantum chemistry. GAMESS can compute SCF wavefunctions ranging from RHF, ROHF, UHF, GVB, and MCSCF. Capabilities include using nuclear gradients for automatic geometry optimization, modeling of solvent effects, computation of the energy hessian for prediction of vibrational frequencies, as well as computation of nuclear wavefunctions. The program can also compute variety of molecular properties, ranging from simple dipole moments to frequency dependent hyperpolarizabilities.
Synonyms: The General Atomic and Molecular Electronic Structure System
Resource Type: source code, software resource
Keywords: molecular quantum chemistry, molecular properties, computation, analysis, visualization
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