Molecular dynamics at an energy-level crossing

DOI10.1016/J.JDE.2019.06.004zbMATH Open1423.35270arXiv1812.08724OpenAlexW2903638402MaRDI QIDQ2272503FDOQ2272503

Authors: Yanyan Li 

Publication date: 10 September 2019

Published in: Journal of Differential Equations (Search for Journal in Brave)

Abstract: This paper is a continuation of a previous work about the study of the survival probability modelizing the molecular predissociation in the Born-Oppenheimer framework. Here we consider the critical case where the reference energy corresponds to the value of a crossing of two electronic levels, one of these two levels being confining while the second dissociates. We show that the survival probability associated to a certain initial state is a sum of the usual time-dependent exponential contribution, and a reminder term that is jointly polynomially small with respect to the time and the semiclassical parameter. We also compute explicitly the main contribution of the remainder.

Full work available at URL: https://arxiv.org/abs/1812.08724

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zbMATH Keywords

resonancessurvival probabilityBorn-Oppenheimer approximationeigenvalue crossingquantum evolution

Mathematics Subject Classification ID

Estimates of eigenvalues in context of PDEs (35P15) Asymptotic expansions of solutions to PDEs (35C20) Pseudodifferential operators and other generalizations of partial differential operators (35S99) Eigenvalue problems for integral equations (45C05)

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Cited In (9)

• Spontaneous decay of resonant energy levels for molecules with moving nuclei
• Differential equations of quantum mechanics
• Estimates on the molecular dynamics for the predissociation process
• Passage from Quantum to Classical Molecular Dynamics in the Presence of Coulomb Interactions
• Title not available (Why is that?)
• Applications of resonance theory without analyticity assumption
• Computational error estimates for Born-Oppenheimer molecular dynamics with nearly crossing potential surfaces
• Molecular propagation through electron energy level crossings
• Estimates on the molecular dynamics for the predissociation process

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