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20192025
most citedOn-the-fly ab initio semiclassical evaluation of electronic coherences in polyatomic molecules reveals a simple mechanism of decoherence

42 citations · 94 across the 5 of their papers we have counts for

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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…