64 citations · 196 across the 23 of their papers we have counts for
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Cavity molecular dynamics simulations of vibrational polariton enhanced molecular nonlinear absorption
Tao E. Li, Abraham Nitzan, Joseph E. Subotnik
Recent experiments have observed that the chemical and photophysical properties of molecules can be modified inside an optical Fabry-Perot microcavity under collective vibrational…
Nonadiabatic dynamics at metal surfaces: fewest switches surface hopping with electronic relaxation
Zuxin Jin, Joseph E. Subotnik
A new scheme is proposed for modeling molecular nonadiabatic dynamics near metal surfaces. The charge-transfer character of such dynamics is exploited to construct an efficient red…
Electronic Structure for Multielectronic Molecules Near a Metal Surface
Junhan Chen, Zuxin Jin, Wenjie Dou +1
We analyze a model problem representing a multi-electronic molecule sitting on a metal surface. Working with a reduced configuration interaction Hamiltonian, we show that one can e…
A Protocol for Spectroscopists to Isolate The Effect of Berry Geometric Magnetic Forces on Molecular Dynamics
Zeyu Zhou, Joseph E. Subotnik, Hsing-Ta Chen
We propose a novel means to isolate and quantify the effects of Berry force on molecular dynamics using two reasonably strong continuous wave (CW) laser fields with frequencies …
Near Total Electronic Spin Separation as Caused by Nuclear Dynamics: Perturbing a Real-Valued Conical Intersection with Complex-Valued Spin-Orbit Coupling
Yanze Wu, Joseph E. Subotnik
We investigate the nuclear dynamics near a real-valued conical intersection that is perturbed by a complex-valued spin-orbit coupling. For a model Hamiltonian with two outgoing cha…
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…