Geometric energy transfer in two-component systems

Ryan Requist*, Chen Li, Eberhard K.U. Gross

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

2 Scopus citations

Abstract

Factoring a wave function into marginal and conditional factors partitions the subsystem kinetic energy into two terms. The first depends solely on the marginal wave function, through its gauge-covariant derivative, while the second depends on the quantum metric of the conditional wave function over the manifold of marginal variables. We derive an identity for the rate of change of the second term. This article is part of the theme issue 'Chemistry without the Born-Oppenheimer approximation'.

Original languageAmerican English
Article number20200383
JournalPhilosophical transactions. Series A, Mathematical, physical, and engineering sciences
Volume380
Issue number2223
DOIs
StatePublished - 2022

Bibliographical note

Publisher Copyright:
© 2022 The Authors.

Keywords

  • energy transfer
  • non-adiabatic effects
  • quantum metric tensor

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