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.
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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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