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Siam Quantum For Linux

4.5/5 2
GPL    

An basic quantum chemistry software. #Quantum chemistry  #Wave function  #Molecule energy  #Quantum  #Chemistry  #Molecule  

Description

changelog

Free Download

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.

What's new in Siam Quantum 1.2.8:

  • The Minimum Energy Crossing Point (MECP) can now be calculated.
Read the full changelog
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Siam Quantum 1.2.8

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  runs on:
Linux
  filename:
sq_bin_linux_1.2.8.zip
  3 screenshots:
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
  main category:
Science and Engineering
  developer:
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