Molecular dynamics at an energy-level crossing

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.
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Submitted on : Friday, December 21, 2018 - 10:53:14 AM
Last modification on : Sunday, December 23, 2018 - 1:24:04 AM

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  • HAL Id : hal-01963156, version 1
  • ARXIV : 1812.08724



Philippe Briet, André Martinez. Molecular dynamics at an energy-level crossing. 2018. ⟨hal-01963156⟩



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