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List of works by Joseph E Subotnik

A "backtracking" correction for the fewest switches surface hopping algorithm

scientific article published on 01 September 2020

A demonstration of consistency between the quantum classical Liouville equation and Berry's phase and curvature for the case of complex Hamiltonians

scientific article published on 01 August 2019

Analytic gradients and derivative couplings for configuration interaction with all single excitations and one double excitation-En route to nonadiabatic dynamics

scientific article published on 01 November 2020

Configuration interaction approaches for solving quantum impurity models

scientific article published on 01 February 2020

Modeling voltammetry curves for proton coupled electron transfer: The importance of nuclear quantum effects

scientific article published on 01 June 2020

On the origin of ground-state vacuum-field catalysis: Equilibrium consideration

scientific article published on 01 June 2020

On the proper derivation of the Floquet-based quantum classical Liouville equation and surface hopping describing a molecule or material subject to an external field

scientific article published on 01 July 2020

TD-DFT spin-adiabats with analytic nonadiabatic derivative couplings

scientific article published on 01 January 2020

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