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commercial license
http://www.molpro.net/info/products.php? portal=visitor&choice=Licence+types
Email : molpro@molpro.net
Availability | Unix/Linux上で要コンパイル |
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Inquiry / Application RequestPayware for first-principles quantum chemical calculation. This application performs molecular orbital calculation based on Hartree-Fock approximation, density functional method, and post-HF methods such as MP, f12, multi-configuration SCF, and coupled cluster method. It also implements calculation by path-integral instanton, quantum Monte Carlo, and density-matrix renormalization group method.
Availability | Unix/Linux上で要コンパイル |
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Related keywords |