Conical Intersections using Constrained DFT-Configuration Interaction

by Kaduk, Benjamin James, Van Voorhis, Troy
Published 2012

Analytic energy gradients for constrained DFT-configuration interaction

by Kaduk, Benjamin James, Tsuchimochi, Takashi, Van Voorhis, Troy
Published 2015

Constrained Density Functional Theory

by Kaduk, Benjamin James, Kowalczyk, Timothy Daniel, Van Voorhis, Troy
Published 2012

The diabatic picture of electron transfer, reaction barriers and molecular dynamics

by Van Voorhis, Troy, Kowalczyk, Timothy Daniel, Kaduk, Benjamin James, Wang, Lee-Ping, Cheng, Chiao-Lun, Wu, Qin
Published 2012