Siam Quantum Version 1.2.3

Post date: Sep 5, 2014 5:33:08 PM

is a major feature enhancement release

What's new.

• Geometry optimization is now available. In partial fulfillment of his master degree thesis, Mr. Theerapon Khamla has implemented the calculation of forces acting on nuclei within a molecule which makes it possible to predict the three dimensional structure of the molecule using only a fundamental equation of quantum mechanics: the Schrödinger equation.
• Mulliken population analysis