[HTML][HTML] On simulating the dynamics of electronic populations and coherences via quantum master equations based on treating off-diagonal electronic coupling terms …
Quantum master equations provide a general framework for describing the dynamics of
electronic observables within a complex molecular system. One particular family of such …
electronic observables within a complex molecular system. One particular family of such …
Simulating Electronically Nonadiabatic Dynamics and Spectroscopy via Quantum Master Equations That Treats Off-Diagonal Electronic Coupling Perturbatively
Y Lai - 2022 - deepblue.lib.umich.edu
The simulation of electronically nonadiabatic dynamics and spectroscopy remains as a
central challenge in computational chemistry. Amongst the reduced dynamic methods …
central challenge in computational chemistry. Amongst the reduced dynamic methods …
Absorption matrix of multi-site systems calculated by a hybrid quantum-classical Liouville equation
Z Gong, J Wu - The Journal of Chemical Physics, 2019 - pubs.aip.org
The linear absorption spectrum of a multisite system can be written as a weighted
accumulation of elements of an absorption matrix. In the framework of the quantum-classical …
accumulation of elements of an absorption matrix. In the framework of the quantum-classical …