203 citations · 728 across the 48 of their papers we have counts for
8 papers · 2 filters
Configuration interaction approaches for solving quantum impurity models
Zuxin Jin, Wenjie Dou, Joseph E. Subotnik
We develop several configuration interaction approaches for characterizing the electronic structure of an adsorbate on a metal surface (at least in model form). When one can separa…
Non-adiabatic Dynamics in a Laser Field with Floquet Fewest Switches Surface Hopping: The Need for An Accurate Treatment of Coherence and Decoherence Remains
Zeyu Zhou, Hsing-Ta Chen, Abraham Nitzan +1
We investigate two well-known approaches for extending the fewest switches surface hopping (FSSH) algorithm to periodic time-dependent couplings. The first formalism acts as if the…
A Robust and Unified Solution for Choosing the Phases of Adiabatic States as a Function of Geometry: Extending Parallel Transport Concepts to the cases of Trivial & Near Trivial Crossings
Zeyu Zhou, Zuxin Jin, Tian Qiu +2
We investigate a simple and robust scheme for choosing the phases of adiabatic electronic states smoothly (as a function of geometry) so as to maximize the performance of ab initio…
Understanding the Nature of Mean-Field Semiclassical Light-Matter Dynamics: An Investigation of Energy Transfer, Electron-Electron Correlations, External Driving and Long-Time Detailed Balance
Tao E. Li, Hsing-Ta Chen, Abraham Nitzan +1
Semiclassical electrodynamics is an appealing approach for studying light-matter interactions, especially for realistic molecular systems. However, there is no unique semiclassical…
A Demonstration of Consistency between the Quantum Classical Liouville Equation and Berry's Phase and Curvature
Joseph Subotnik, Gaohan Miao, Nicole Bellonzi +2
Although the quantum classical Liouville equation (QCLE) arises by cutting off the exact equation of motion for a coupled nuclear-electronic system at order 1 (1 = ), we…
Understanding Detailed Balance for an Electron-Radiation System Through Mixed Quantum-Classical Electrodynamics
Hsing-Ta Chen, Tao E. Li, Abraham Nitzan +1
We investigate detailed balance for a quantum system interacting with thermal radiation within mixed quantum-classical theory. For a two-level system coupled to classical radiation…