Siam Quantum (SQ) is a quantum chemistry program that calculates wave function and total energy of molecules. It currently supports restricted Hartree-Fock method using Gaussian-type basis functions. The source code is well documented because it was initially designed for academic purposes so that students can easily understand. However, Siam Quantum can also produce high quality results for research purposes because the energies calculated are comparable to the ones produced by other software packages such as Gaussian or GAMESS, with the errors in the order of 10^-6 Hartrees, which can be further reduced with more strict cut-off.
Changes: A minor bugfix regarding reading XYZ file format and adding support for plotting molecular orbitals in CUBE file format.
Release Tags: Stable, Bugfixes
Tags: Quantum Mechanics, Quantum Chemistry
Licenses: GPL