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Oral: Objective non-adiabatic quantum dynamics

ORAL

Abstract

Objective non-adiabatic quantum dynamics is an exact method to solve non-adiabatic quantum dynamics (NAQD) in which only a finite number of nuclei and electrons are simulated while all other nuclei and electrons filling all of space satisfy exactly the equations of NAQD. In this non-adiabatic regime, the nuclei follow classical molecular dynamics coupled with quantum mechanics governing electronic motion. Our method relies on the invariance of potential energy under time-dependent groups representing changes of frame and permutations of like nuclei. Specifically, by using these groups, we derived an exact simplification of non-adiabatic quantum dynamics. A familiar group satisfying these conditions is the time-dependent Galilean group, consisting of orthogonal transformations, and translations with affine time-dependence. This framework provides an advantage in investigating effect of time-dependent motions of coupled nuclei and electrons at the quantum level. Potential applications of this novel method include simulations of superfluidity, superconductivity and plasmas. We will also describe our recent study on light-matter interaction system under dynamic deformations.

Presenters

  • Shivam Sharma

    University of Minnesota

Authors

  • Shivam Sharma

    University of Minnesota

  • Richard D James

    University of Minnesota, Twin Cities, University of Minnesota