[ASAP] Quasi-Diabatic Scheme for Nonadiabatic On-the-Fly Simulations

The Journal of Physical Chemistry LettersDOI: 10.1021/acs.jpclett.9b02747

Source: The Journal of Physical Chemistry Letters - November 5, 2019 Category: Chemistry Authors: Wanghuai Zhou †‡, Arkajit Mandal‡, and Pengfei Huo*‡ Source Type: research