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 language | English |
|---|---|
| Article number | 20200383 |
| Journal | Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences |
| Volume | 380 |
| Issue number | 2223 |
| DOIs | |
| State | Published - 2022 |
Bibliographical note
Publisher Copyright:© 2022 The Authors.
Keywords
- energy transfer
- non-adiabatic effects
- quantum metric tensor
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