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About An Introduction To Gamess: Mark S. Gordon Iowa State University
This document provides an overview of the GAMESS (General Atomic and Molecular Electronic Structure System) quantum chemistry software. It describes the types of calculations GAMESS can perform including ab initio methods like Hartree-Fock, CI, and MP2 as well as density functional and semi-empirical methods. It also summarizes the properties that can be calculated like energies, gradients, vibrational frequencies, and spin-orbit coupling. The document gives guidance on using GAMESS including input file structure, common groups, basis sets, and examples.
Detailed Information
| Author: | ['Mauricio Perez'] |
|---|---|
| Publication Year: | 2014 |
| Pages: | 24 |
| Language: | English |
| Format: | |
| Price: | FREE |
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