Stochastic Response Theory

20 Jun 2018

We have a new paper out in JCTC, detailing a novel stochastic approach to directly calculate response properties of molecular systems in a way that is systematically improvable to the exact solution. (See it here). While solving the Schrodinger equation for the ground state energy is important, experimentalists are generally more interested in the response of a system after you hit it with something - I mean this is what an experiment is after all, right?!

Congratulations to Pradipta Samanta on all his hard work!