13 citations · 13 across the 1 of their papers we have counts for
3 papers
physics.chem-ph2022★ 13 cited
Incorporating Berry Force Effects into The Fewest Switches Surface Hopping Algorithm: Intersystem Crossing and The Case of Electronic Degeneracy
Xuezhi Bian, Yanze Wu, Hung-Hsuan Teh +1
We present a preliminary surface-hopping approach for modeling intersystem crossing (ISC) dynamics between four electronic states: one singlet and one (triply degenerate) triplet.…
physics.chem-ph2020
Analytic Gradients and Derivative Couplings for Configuration Interaction with All Single Excitations and One Double Excitation -- En Route to Nonadiabatic Dynamics
Hung-Hsuan Teh, Joseph E. Subotnik
We present analytic gradients and derivative couplings for the simplest possible multireference configuration interaction method, CIS-1D, an electronic structure ansatz that includ…
physics.chem-ph2019
A Demonstration of Consistency between the Quantum Classical Liouville Equation and Berry's Phase and Curvature
Joseph Subotnik, Gaohan Miao, Nicole Bellonzi +2
Although the quantum classical Liouville equation (QCLE) arises by cutting off the exact equation of motion for a coupled nuclear-electronic system at order 1 (1 = ), we…