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Ascalaph Quantum 1.7.12

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The Ascalaph Quantum package provides interfaces to ab initio quantum mechanical packages NWChem, CP2K and PC GAMESS / Firefly. Quantum calculations are performed using the PC GAMESS program. ...

Author Agile Molecule
License Open Source
Price FREE
Released 2014-01-12
Downloads 233
Filesize 86.80 MB
Requirements
Installation Instal And Uninstall
Keywords Energy Calculation, Geometry Optimization, Properties Calculation, Quantum, Mechanical, Energy
Users' rating
(2 rating)
Ascalaph QuantumCADWindows XP, Windows Vista, Windows Vista x64, Windows 7, Windows 7 x64, Windows 8, Windows 8 x64, Windows 10, Windows 10 x64
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Ascalaph Quantum

1.7.12 download

... mode is controlled by selecting the basis and method to account for electron correlation. Optimization: ยท ... the quantum mechanical module is included in the molecular mechanics package, electrostatic calculations are given particular attention. ...