Geometric energy transfer in two-component systems
arXiv:2112.08694 · doi:10.1098/rsta.2020.0383
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.
References in corpus (9)
- Exact factorization of the time-dependent electron-nuclear wavefunction
- Correlated electron-nuclear dynamics: Exact factorization of the molecular wavefunction
- The exact forces on classical nuclei in non-adiabatic charge transfer
- Molecular geometric phase from the exact electron-nuclear factorization
- Exact factorization-based density functional theory of electrons and nuclei
- Mixed quantum-classical dynamics from the exact decomposition of electron-nuclear motion
- Classical nuclear motion coupled to electronic non-adiabatic transitions
- Energy, Momentum and Angular Momentum Transfer Between Electrons and Nuclei
- Exact factorization-based density functional theory of electron-phonon systems