David Lauvergnat
7PUBLICATIONS
12CO-AUTHORS
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Publications (7)
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|Jan 27, 2021
Relaxation dynamics through a conical intersection: Quantum and quantum-classical studies.Carlotta Pieroni, Emanuele Marsili, David Lauvergnat
|Jun 04, 2020
First-principles description of intra-chain exciton migration in an oligo(para-phenylene vinylene) chain. I. Generalized Frenkel-Holstein Hamiltonian.Robert Binder, Matteo Bonfanti, David Lauvergnat
|Oct 03, 2019
Intramolecular stretching vibrational states and frequency shifts of (H<sub>2</sub>)<sub>2</sub> confined inside the large cage of clathrate hydrate from an eight-dimensional quantum treatment using small basis sets.Peter M Felker, David Lauvergnat, Yohann Scribano
|Apr 22, 2019
H<sub>2</sub>, HD, and D<sub>2</sub> in the small cage of structure II clathrate hydrate: Vibrational frequency shifts from fully coupled quantum six-dimensional calculations of the vibration-translation-rotation eigenstates.David Lauvergnat, Peter Felker, Yohann Scribano
|Apr 01, 2019
A generalized vibronic-coupling Hamiltonian for molecules without symmetry: Application to the photoisomerization of benzopyran.Benjamin Gonon, Benjamin Lasorne, Gabriel Karras
|Apr 16, 2018
The effect of the condensed-phase environment on the vibrational frequency shift of a hydrogen molecule inside clathrate hydrates.Anna Powers, Yohann Scribano, David Lauvergnat
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Frequent Collaborators
3 joint publications
David M Benoit
3 joint publications
Zlatko Bačić
2 joint publications
Benjamin Gonon
2 joint publications
Benjamin Lasorne
2 joint publications
Yohann Scribano
1 joint publications
Franck Billard
1 joint publications
Bruno Lavorel
1 joint publications
Peter M Felker
1 joint publications
Matteo Bonfanti
1 joint publications
Irene Burghardt
