| Autor: |
Martinazzo R; Department of Chemistry, Università degli Studi di Milano, Via Golgi 19, 20133 Milano, Italy., Burghardt I; Institute of Physical and Theoretical Chemistry, Goethe University Frankfurt, Max-von-Laue-Straße 7, D-60438 Frankfurt/Main, Germany. |
| Jazyk: |
angličtina |
| Zdroj: |
Physical review letters [Phys Rev Lett] 2024 Jun 14; Vol. 132 (24), pp. 243002. |
| DOI: |
10.1103/PhysRevLett.132.243002 |
| Abstrakt: |
The fate of the molecular geometric phase in an exact dynamical framework is investigated with the help of the exact factorization of the wave function and a recently proposed quantum hydrodynamical description of its dynamics. An instantaneous, gauge-invariant phase is introduced for arbitrary paths in nuclear configuration space in terms of hydrodynamical variables, and shown to reduce to the adiabatic geometric phase when the state is adiabatic and the path is closed. The evolution of the closed-path phase over time is shown to adhere to a Maxwell-Faraday induction law, with nonconservative forces arising from the electron dynamics that play the role of electromotive forces. We identify the pivotal forces that are able to change the value of the phase, thereby challenging any topological argument. Nonetheless, negligible changes in the phase occur when the local dynamics along the probe loop is approximately adiabatic. That is, the geometric phase effects that arise in an adiabatic limiting situation remain suitable to effectively describe certain dynamic observables. |
| Databáze: |
MEDLINE |
| Externí odkaz: |
|
