Quantum chemistry computer programs are used in computational chemistry to implement the methods of quantum chemistry. Most include the Hartree–Fock (HF) and some post-Hartree–Fock methods. They may also include density functional theory (DFT), molecular mechanics or semi-empirical quantum chemistry methods. The programs include both open source and commercial software. Most of them are large, often containing several separate programs, and have been developed over many years.
The following table illustrates the capabilities of the most versatile software packages that show an entry in two or more columns of the table.
NanoHub.org is also very Importent.
Gaussian, Avogadro, Virtual Nano Lab,NWChem: Open Source High-Performance Computational Chemistry(http://www.nwchem-sw.org/index.php/Main_Page) and Quantum ATK is also very importent
https://en.wikipedia.org/wiki/List_of_quantum_chemistry_and_solid-state_physics_software
The following table illustrates the capabilities of the most versatile software packages that show an entry in two or more columns of the table.
NanoHub.org is also very Importent.
Gaussian, Avogadro, Virtual Nano Lab,NWChem: Open Source High-Performance Computational Chemistry(http://www.nwchem-sw.org/index.php/Main_Page) and Quantum ATK is also very importent
https://en.wikipedia.org/wiki/List_of_quantum_chemistry_and_solid-state_physics_software
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