June 28, 2016
Different enantiomers of chiral molecules absorb left- and right-handed circularly polarized light differently. This is the physical basis of circular dichroism (CD) spectroscopy, and is one of the most powerful experimental techniques for characterizing enantiomers. Unfortunately, calculating CD spectroscopy is an extremely challenging task. In “An Atomic Orbital Based Real-Time Time-Dependent Density Functional Theory for […]
May 23, 2016
We’ve posted a few videos of some interesting electronic dynamics calculated with our new software package Chronus Quantum. A big thanks to our own Joshua Goings for making these. Check out how the electron density is perturbed by on resonant electric fields.
November 12, 2015
We are pleased to announce that the Beta version of Chronus Quantum is now available on GitHub! All are encouraged to obtain a copy of the code to aid in the open source, community-driven development of the this software package. Chronus Quantum is an ab initio computational chemistry software package that focuses on explicitly time-dependent […]