2 papers
cond-mat.stat-mech2020
Microcanonical rates from ring-polymer molecular dynamics: Direct-shooting, stationary-phase, and maximum-entropy approaches
Xuecheng Tao, Philip Shushkov, Thomas F. Miller
We address the calculation of microcanonical reaction rates for processes involving significant nuclear quantum effects using ring-polymer molecular dynamics (RPMD), both with and…
quant-ph2019
Real-time density-matrix coupled-cluster approach for closed and open systems at finite temperature
Philip Shushkov, Thomas F. Miller
We extend the coupled-cluster method to correlated quantum dynamics of both closed and open systems at finite temperatures using the thermo-field formalism. The approach expresses…