David Lauvergnat

7PUBLICATIONS
12CO-AUTHORS
Human biophysicsComputational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Theoretical quantum chemistryPhotochemistryStructural properties of condensed matter
Featured researcher

Get your video featured.

JoVEPublish with JoVE
Journal

Publications (7)

|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 (H2)2 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
H2, HD, and D2 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

Pageof 2

Frequent Collaborators

3 joint publications

David M Benoit

3 joint publications

Zlatko Bačić

2 joint publications

Benjamin Gonon

2 joint publications

Benjamin Lasorne