106 citations · 411 across the 40 of their papers we have counts for
7 papers · 1 filter
Stochastic resolution of identity to CC2 for large systems: ground-state properties
Chongxiao Zhao, Wenjie Dou
A stochastic resolution of identity approach (sRI) is applied to the second-order coupled cluster singles and doubles (CC2) model to calculate the ground-state energy. Utilizing a…
Active Spaces and Non-Orthogonal Configuration Interaction Approaches for Investigating Molecules on Metal Surfaces
Junhan Chen, Wenjie Dou, Joseph Subotnik
We test a set of multiconfigurational wavefunction approaches for calculating the ground state electron population for a two-site Anderson model representing a molecule on a metal…
Floquet driven frictional effects
Vahid Mosallanejad, Jingqi Chen, Wenjie Dou
When the coupled electron-nuclear dynamics are subjected to strong Floquet driving, there is a strong breakdown of the Born-Oppenheimer approximation. In this article, we derive a…
Quantum thermodynamics of nonadiabatically driven systems: The effect of electron-phonon interaction
Jakob Bätge, Amikam Levy, Wenjie Dou +1
In this work we study the effects of nonadiabatic external driving on the thermodynamics of an electronic system coupled to two electronic leads and to a phonon mode, with and with…
Chemical reactions in imperfect cavities: enhancement, suppression, and resonance
John P. Philbin, Yu Wang, Prineha Narang +1
The use of optical cavities to control chemical reactions has been of great interest recently, following demonstrations of enhancement, suppression, and negligible effects on chemi…
Numerical study of non-adiabatic quantum thermodynamics of the driven resonant level model: Non-equilibrium entropy production and higher order corrections
Kaiyi Tong, Wenjie Dou
We present our numerical study on quantum thermodynamics of the resonant level model subjected to non-equilibrium condition as well as external driving. Following our previous work…
Time dependent second order Green's function theory for neutral excitations
Wenjie Dou, Joonho Lee, David R. Reichman +2
We develop a time dependent second order Green's function theory (GF2) for calculating neutral excited states in molecules. The equation of motion for the lesser Green's function (…