Non-adiabatic Matsubara dynamics and non-adiabatic ring-polymer molecular dynamics

Chowdhury, SN; Huo, PF

Huo, PF (corresponding author), Univ Rochester, Dept Chem, 120 Trustee Rd, Rochester, NY 14627 USA.; Huo, PF (corresponding author), Univ Rochester, Inst Opt, Hajim Sch Engn, Rochester, NY 14627 USA.

JOURNAL OF CHEMICAL PHYSICS, 2021; 154 (12):

Abstract

We present the non-adiabatic Matsubara dynamics, a general framework for computing the time-correlation function (TCF) of electronically non-adiabatic......

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