Siam Quantum

  148 downloads
1.2.8 GPL (GNU General Public License)    
5.0/5 1
An basic quantum chemistry software

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Siam Quantum is an open source command-line software that helps students to better understands electronic structure calculations, supporting both Linux and Windows operating systems.

Siam Quantum is able to calculate restricted MP2 energies of molecules and Hartree-Fock, output high quality results, comparable to the ones from standard quantum chemistry apps, such as GAMESS and Gaussian, perform post SCF calculations, such as molecular orbitals and electron density, simple population  analysis and geometry optimization.
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Last updated on March 26th, 2013
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Siam Quantum - Usage example of the Siam Quantum app from the command-line in Ubuntu 12.10Siam Quantum - Usage example of the Siam Quantum app from the command-line in Ubuntu 12.10Siam Quantum - Usage example of the Siam Quantum app from the command-line in Ubuntu 12.10

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