Quantum dynamics simulations using Gaussian wavepackets: the vMCG method GW Richings, I Polyak, KE Spinlove, GA Worth, I Burghardt, B Lasorne International Reviews in Physical Chemistry 34 (2), 269-308, 2015 | 309 | 2015 |
Solving the time-dependent Schrödinger equation for nuclear motion in one step: direct dynamics of non-adiabatic systems GA Worth, MA Robb, B Lasorne Molecular Physics 106 (16-18), 2077-2091, 2008 | 209 | 2008 |
Direct quantum dynamics using variational multi-configuration Gaussian wavepackets. Implementation details and test case B Lasorne, MA Robb, GA Worth Physical Chemistry Chemical Physics 9 (25), 3210-3227, 2007 | 113 | 2007 |
Excitedstate dynamics B Lasorne, GA Worth, MA Robb Wiley Interdisciplinary Reviews: Computational Molecular Science 1 (3), 460-475, 2011 | 97 | 2011 |
Exploring the sloped-to-peaked S 2/S 1 seam of intersection of thymine with electronic structure and direct quantum dynamics calculations D Asturiol, B Lasorne, GA Worth, MA Robb, L Blancafort Physical Chemistry Chemical Physics 12 (19), 4949-4958, 2010 | 97 | 2010 |
Photophysics of the π, π* and n, π* states of thymine: MS-CASPT2 minimum-energy paths and CASSCF on-the-fly dynamics D Asturiol, B Lasorne, MA Robb, L Blancafort The Journal of Physical Chemistry A 113 (38), 10211-10218, 2009 | 97 | 2009 |
Applications of quantum dynamics in chemistry F Gatti, B Lasorne, HD Meyer, A Nauts Springer, 2017 | 74 | 2017 |
Controlling S1/S0 Decay and the Balance between Photochemistry and Photostability in Benzene: A Direct Quantum Dynamics Study B Lasorne, MJ Bearpark, MA Robb, GA Worth The Journal of Physical Chemistry A 112 (50), 13017-13027, 2008 | 71 | 2008 |
Towards converging non-adiabatic direct dynamics calculations using frozen-width variational Gaussian product basis functions D Mendive-Tapia, B Lasorne, GA Worth, MA Robb, MJ Bearpark The Journal of chemical physics 137 (22), 2012 | 65 | 2012 |
Direct quantum dynamics using variational multi-configuration Gaussian wavepackets B Lasorne, MJ Bearpark, MA Robb, GA Worth Chemical physics letters 432 (4-6), 604-609, 2006 | 65 | 2006 |
Controlling the mechanism of fulvene S 1/S 0 decay: switching off the stepwise population transfer D Mendive-Tapia, B Lasorne, GA Worth, MJ Bearpark, MA Robb Physical Chemistry Chemical Physics 12 (48), 15725-15733, 2010 | 58 | 2010 |
The photochemistry of formaldehyde: internal conversion and molecular dissociation in a single step? M Araujo, B Lasorne, MJ Bearpark, MA Robb The Journal of Physical Chemistry A 112 (33), 7489-7491, 2008 | 53 | 2008 |
Automatic generation of active coordinates for quantum dynamics calculations: Application to the dynamics of benzene photochemistry B Lasorne, F Sicilia, MJ Bearpark, MA Robb, GA Worth, L Blancafort The Journal of chemical physics 128 (12), 2008 | 52 | 2008 |
The molecular dissociation of formaldehyde at medium photoexcitation energies: A quantum chemistry and direct quantum dynamics study M Araújo, B Lasorne, AL Magalhães, GA Worth, MJ Bearpark, MA Robb The Journal of chemical physics 131 (14), 2009 | 51 | 2009 |
New insights into the by-product fatigue mechanism of the photo-induced ring-opening in diarylethenes D Mendive-Tapia, A Perrier, MJ Bearpark, MA Robb, B Lasorne, ... Physical Chemistry Chemical Physics 16 (34), 18463-18471, 2014 | 49 | 2014 |
A straightforward method of analysis for direct quantum dynamics: application to the photochemistry of a model cyanine CSM Allan, B Lasorne, GA Worth, MA Robb The Journal of Physical Chemistry A 114 (33), 8713-8729, 2010 | 46 | 2010 |
The role of the low-lying dark nπ* states in the photophysics of pyrazine: a quantum dynamics study M Sala, B Lasorne, F Gatti, S Guérin Physical Chemistry Chemical Physics 16 (30), 15957-15967, 2014 | 44 | 2014 |
Wave packet dynamics along bifurcating reaction paths B Lasorne, G Dive, D Lauvergnat, M Desouter-Lecomte The Journal of chemical physics 118 (13), 5831-5840, 2003 | 37 | 2003 |
Controlling Product Selection in the Photodissociation of Formaldehyde: Direct Quantum Dynamics from the S1 Barrier M Araujo, B Lasorne, AL Magalhaes, MJ Bearpark, MA Robb The Journal of Physical Chemistry A 114 (45), 12016-12020, 2010 | 35 | 2010 |
Nonadiabatic interactions in wave packet dynamics of the bromoacetyl chloride photodissociation B Lasorne, MC Bacchus-Montabonel, N Vaeck, M Desouter-Lecomte The Journal of chemical physics 120 (3), 1271-1278, 2004 | 34 | 2004 |