Software Details:
Version: 1.2.8
Upload Date: 20 Feb 15
Distribution Type: Freeware
Downloads: 78
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 is new in this release:
- The Minimum Energy Crossing Point (MECP) can now be calculated.
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