2 papers
quant-ph2023
A First Principles Derivation of Energy Conserving Momentum Jumps in Surface Hopping Simulations
Dorothy Miaoyu Huang, Austin T. Green, Craig C. Martens
The fewest switches surface hopping (FSSH) method proposed by Tully in 1990 [J. C Tully, J. Chem. Phys. 93, 1061 (1990)] -- along with its many later variations -- is basis for mos…
quant-ph2023
Zombie Cats on the Quantum-Classical Frontier: Wigner-Moyal and Semiclassical Limit Dynamics of Quantum Coherence in Molecules
Austin T. Green, Craig C. Martens
In this paper, we investigate the time evolution of quantum coherence -- the off-diagonal elements of the density matrix of a multistate quantum system -- from the perspective of t…