Cargando…
Geometric energy transfer in two-component systems
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...
Autores principales: | , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
The Royal Society
2022
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8958278/ https://www.ncbi.nlm.nih.gov/pubmed/35341302 http://dx.doi.org/10.1098/rsta.2020.0383 |
_version_ | 1784676913163272192 |
---|---|
author | Requist, Ryan Li, Chen Gross, Eberhard K. U. |
author_facet | Requist, Ryan Li, Chen Gross, Eberhard K. U. |
author_sort | Requist, Ryan |
collection | PubMed |
description | 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’. |
format | Online Article Text |
id | pubmed-8958278 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | The Royal Society |
record_format | MEDLINE/PubMed |
spelling | pubmed-89582782022-04-12 Geometric energy transfer in two-component systems Requist, Ryan Li, Chen Gross, Eberhard K. U. Philos Trans A Math Phys Eng Sci Articles 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’. The Royal Society 2022-05-16 2022-03-28 /pmc/articles/PMC8958278/ /pubmed/35341302 http://dx.doi.org/10.1098/rsta.2020.0383 Text en © 2022 The Authors. https://creativecommons.org/licenses/by/4.0/Published by the Royal Society under the terms of the Creative Commons Attribution License http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) , which permits unrestricted use, provided the original author and source are credited. |
spellingShingle | Articles Requist, Ryan Li, Chen Gross, Eberhard K. U. Geometric energy transfer in two-component systems |
title | Geometric energy transfer in two-component systems |
title_full | Geometric energy transfer in two-component systems |
title_fullStr | Geometric energy transfer in two-component systems |
title_full_unstemmed | Geometric energy transfer in two-component systems |
title_short | Geometric energy transfer in two-component systems |
title_sort | geometric energy transfer in two-component systems |
topic | Articles |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8958278/ https://www.ncbi.nlm.nih.gov/pubmed/35341302 http://dx.doi.org/10.1098/rsta.2020.0383 |
work_keys_str_mv | AT requistryan geometricenergytransferintwocomponentsystems AT lichen geometricenergytransferintwocomponentsystems AT grosseberhardku geometricenergytransferintwocomponentsystems |