An basic quantum chemistry software #Quantum chemistry #Wave function #Molecule energy #Quantum #Chemistry #Molecule
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.
Siam Quantum 1.2.8
add to watchlist add to download basket send us an update REPORT- runs on:
- Linux
- filename:
- sq_bin_linux_1.2.8.zip
3 screenshots:
- main category:
- Science and Engineering
- developer:
- visit homepage
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