Information
Last Update:2021/03/06
Official site
License
https://orcaforum.cec.mpg.de/license.html
Availability | Unix、Windows |
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Inquiry / Application RequestAn open-source application of semi-empirical/ab-initio quantum chemical calculation that comes under an academic license. It performs various quantum chemical calculations based on Hartree-Fock theory, density functional theory, and configuration interaction theory, yielding electronic states and enabling structure optimization and molecular spectrum analysis. Molecular dynamics calculation based on the QM/MM method is also possible by using this software in combination with GROMACS.
Availability | Unix、Windows |
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Related App | |
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