15 citations · 26 across the 3 of their papers we have counts for
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physics.chem-ph2021★ 11 cited
High-order geometric integrators for representation-free Ehrenfest dynamics
Seonghoon Choi, Jiří Vaníček
Ehrenfest dynamics is a useful approximation for ab initio mixed quantum-classical molecular dynamics that can treat electronically nonadiabatic effects. Although a severe approxim…
physics.chem-ph2020★ 15 cited
How important are the residual nonadiabatic couplings for an accurate simulation of nonadiabatic quantum dynamics in a quasidiabatic representation?
Seonghoon Choi, Jiří Vaníček
Diabatization of the molecular Hamiltonian is a standard approach to removing the singularities of nonadiabatic couplings at conical intersections of adiabatic potential energy sur…