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Non-adiabatic effects in the òB₂ and \tilde{B}²A₁ states of CH₂F₂⁺ through coupling vibrational modes

Sarkar, R; (2016) Non-adiabatic effects in the òB₂ and \tilde{B}²A₁ states of CH₂F₂⁺ through coupling vibrational modes. Journal of Physics: Conference Series , 759 (1) , Article 012058. 10.1088/1742-6596/759/1/012058. Green open access

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Abstract

Vibronic coupling between the two energetically close-lying excited electronic states (Ã ²B₂ and \tilde{B}² A₁) of CH₂F₂⁺ is studied in this article. A reduced dimensional model Hamiltonian is constructed in a diabatic representation and using standard vibronic coupling theory. A detailed topographical analysis of the Ã-\tilde{B} coupled surfaces is presented here and nuclear dynamics study on these surfaces is also studied by using time-dependent wavepacket propagation approach.

Type: Article
Title: Non-adiabatic effects in the òB₂ and \tilde{B}²A₁ states of CH₂F₂⁺ through coupling vibrational modes
Open access status: An open access version is available from UCL Discovery
DOI: 10.1088/1742-6596/759/1/012058
Publisher version: https://doi.org/10.1088/1742-6596/759/1/012058
Language: English
Additional information: © 2016 IOP Publishing. Content from this work may be used under the terms of the Creative Commons Attribution 3.0 licence (http://creativecommons.org/licenses/by/3.0).
UCL classification: UCL
UCL > Provost and Vice Provost Offices
UCL > Provost and Vice Provost Offices > UCL BEAMS
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences
URI: https://discovery.ucl.ac.uk/id/eprint/10066378
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