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On the unusual Stokes shift in the smallest PPE dendrimer building block: Role of the vibronic symmetry on the band origin?

Joachim Galiana , Benjamin Lasorne
Journal of Chemical Physics, 2023, 158 (12), pp.124113. ⟨10.1063/5.0141352⟩
Article dans une revue hal-04076000v1

Fast and slow excited-state intramolecular proton transfer in 3-hydroxychromone: A two-state story?

Aurelie Perveaux , Maxime Lorphelin , Benjamin Lasorne , David Lauvergnat
Physical Chemistry Chemical Physics, 2017, 19 (9), pp.6579-6593. ⟨10.1039/C6CP06603H⟩
Article dans une revue hal-01508621v1
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A generalized vibronic-coupling Hamiltonian for molecules without symmetry: Application to the photoisomerization of benzopyran

Benjamin Gonon , Benjamin Lasorne , Gabriel Karras , Loïc Joubert-Doriol , David Lauvergnat , et al.
Journal of Chemical Physics, 2019, 150 (12), pp.124109. ⟨10.1063/1.5085059⟩
Article dans une revue hal-02108321v1

Towards converging non-adiabatic direct dynamics calculations using frozen-width variational Gaussian product basis functions

David Mendive-Tapia , Benjamin Lasorne , Graham A. Worth , Michael A. Robb , Michael J. Bearpark
Journal of Chemical Physics, 2012, 137, pp.22A548. ⟨10.1063/1.4765087⟩
Article dans une revue hal-00758225v1
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Striking Generic Impact of Light-Induced Non-Adiabaticity in Polyatomic Molecules

Csaba Fábri , Benjamin Lasorne , Gabor J. Halasz , Lorenz Cederbaum , Ágnes Vibók
Journal of Physical Chemistry Letters, 2020, 11 (13), pp.5324-5329. ⟨10.1021/acs.jpclett.0c01574⟩
Article dans une revue hal-02912990v1

Attosecond electronic and nuclear quantum photodynamics of ozone: time-dependent Dyson orbitals and dipole

Aurélie Perveaux , David Lauvergnat , Benjamin Lasorne , Fabien Gatti , Michael A. Robb , et al.
Journal of Physics B: Atomic, Molecular and Optical Physics, 2014, 47, pp.124010. ⟨10.1088/0953-4075/47/12/124010⟩
Article dans une revue hal-01004456v1
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Laser-controlled electronic symmetry breaking in a phenylene ethynylene dimer: Simulation by the hierarchical equations of motion and optimal control

Amine Jaouadi , Joachim Galiana , Etienne Mangaud , Benjamin Lasorne , Osman Atabek , et al.
Physical Review A, 2022, 106 (4), pp.043121. ⟨10.1103/PhysRevA.106.043121⟩
Article dans une revue hal-03859676v1

Nonadiabatic interactions in wave packet dynamics of the bromoacetyl chloride photodissociation

Benjamin Lasorne , Marie-Christine Bacchus-Montabonel , Nathalie Vaeck , Michele Desouter-Lecomte
Journal of Chemical Physics, 2004, 120 (3), pp.1271-1278. ⟨10.1063/1.1633759⟩
Article dans une revue hal-01053332v1
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Statistical distributions of the tuning and coupling collective modes at a conical intersection using the hierarchical equations of motion

Etienne Mangaud , Benjamin Lasorne , Osman Atabek , Michèle Desouter-Lecomte
Journal of Chemical Physics, 2019, 151 (24), pp.244102. ⟨10.1063/1.5128852⟩
Article dans une revue hal-02498342v1

Direct quantum dynamics using variational multi-configuration Gaussian wavepackets. Implementation details and test case

Benjamin Lasorne , Michael A. Robb , Graham A. Worth
Physical Chemistry Chemical Physics, 2007, 9, pp.3210-3227. ⟨10.1039/b700297a⟩
Article dans une revue istex hal-00382791v1

Controlling the mechanism of fulvene S-1/S-0 decay: switching off the stepwise population transfer

David Mendive-Tapia , Benjamin Lasorne , Graham A. Worth , Michael J. Bearpark , Michael A. Robb
Physical Chemistry Chemical Physics, 2010, 12, pp.15725-15733. ⟨10.1039/c0cp01757d⟩
Article dans une revue istex hal-00590716v1

Intramolecular Charge Transfer in 4-Aminobenzonitrile Does Not Need the Twist and May Not Need the Bend

Aurelie Perveaux , Pedro J. Castro , David Lauvergnat , Mar Reguero , Benjamin Lasorne
Journal of Physical Chemistry Letters, 2015, 6 (8), pp.1316-1320. ⟨10.1021/acs.jpclett.5b00162⟩
Article dans une revue hal-01161532v1

Vibronic properties of para -polyphenylene ethynylenes: TD-DFT insights

Emmeline Kim-Lien Ho , Thibaud Etienne , Benjamin Lasorne
Journal of Chemical Physics, 2017, 146 (16), pp.164303. ⟨10.1063/1.4981802⟩
Article dans une revue hal-01521848v1

Applications of Quantum Dynamics in Chemistry

Fabien Gatti , Benjamin Lasorne , Hans-Dieter Meyer , André Nauts
Springer International Publishing, 98, 2017, Lecture Notes in Chemistry, 978-3-319-53921-8. ⟨10.1007/978-3-319-53923-2⟩
Ouvrages hal-01630051v1

Vertical transition energies vs. absorption maxima: Illustration with the UV absorption spectrum of ethylene

Benjamin Lasorne , Joaquim Jornet-Somoza , Hans-Dieter Meyer , David Lauvergnat , Michael A. Robb , et al.
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy [1994-..], 2014, 119, pp.52. ⟨10.1016/j.saa.2013.04.078⟩
Article dans une revue hal-00905569v1

New insights into the by-product fatigue mechanism of the photo-induced ring-opening in diarylethenes.

David Mendive-Tapia , Aurélie Perrier , Michael J Bearpark , Michael A Robb , Benjamin Lasorne , et al.
Physical Chemistry Chemical Physics, 2014, 16 (34), pp.18463-18471. ⟨10.1039/c4cp03001j⟩
Article dans une revue hal-01064889v1
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The electronic excited states of ethylene with large-amplitude deformations: A dynamical symmetry group investigation

Benjamin Lasorne , Michael A. Robb , H.-D. Meyer , Fabien Gatti
Chemical Physics, 2010, 377, pp.30. ⟨10.1016/j.chemphys.2010.08.011⟩
Article dans une revue hal-00538796v1

A generalised 17-state vibronic-coupling Hamiltonian model for ethylene

Joaquim Jornet Somoza , Benjamin Lasorne , Michael A. Robb , Hans-Dieter Meyer , David Lauvergnat , et al.
Journal of Chemical Physics, 2012, 137, pp.084304. ⟨10.1063/1.4745861⟩
Article dans une revue hal-00725502v1

Multidimensional Photochemistry Model: Application to Aminobenzonitrile and Benzopyran

Aurélie Perveaux , Fabien Gatti , Hans-Dieter Meyer , Benjamin Lasorne , David Lauvergnat , et al.
I. Yamanouchi, S. Cundiff, R. DeVivieRiedle, M. KuwataGonokami, and L. DiMauro. ULTRAFAST PHENOMENA XIX, 162, Springer Verlag, pp.386, 2014, Springer Proceedings in Physics, 978-3-319-13242-6; 978-3-319-13241-9. ⟨10.1007/978-3-319-13242-6_94⟩
Chapitre d'ouvrage hal-01213798v1
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A Novel Valence-Bond-Based Automatic Diabatization Method by Compression

Yang Zhang , Peifeng Su , Benjamin Lasorne , Benoît Braïda , Wei Wu
Journal of Physical Chemistry Letters, 2020, 11 (13), pp.5295-5301. ⟨10.1021/acs.jpclett.0c01466⟩
Article dans une revue hal-02912986v1

Excitation energy transfer and vibronic relaxation through light-harvesting dendrimer building blocks: A nonadiabatic perspective

Joachim Galiana , Benjamin Lasorne
Journal of Chemical Physics, 2024, 160 (10), ⟨10.1063/5.0193264⟩
Article dans une revue hal-04543796v1

Direct quantum dynamics using variational multi-configuration Gaussian wavepackets

Benjamin Lasorne , Michael J. Bearpark , Michael A. Robb , Graham A. Worth
Chemical Physics Letters, 2006, 432, pp.604-609. ⟨10.1016/j.cplett.2006.10.099⟩
Article dans une revue istex hal-00382792v1
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Diabatic pseudofragmentation and nonadiabatic excitation-energy transfer in meta-substituted dendrimer building blocks

Emmeline K.-L. Ho , Benjamin Lasorne
Computational and Theoretical Chemistry, 2019, 1156, pp.25-36. ⟨10.1016/j.comptc.2019.03.013⟩
Article dans une revue hal-02160459v1

Quantum dynamics simulations using Gaussian wavepackets: the vMCG method

Gareth W. Richings , Iakov Polyak , Kaite E. Spinlove , Graham A. Worth , Irene Burghardt , et al.
International Reviews in Physical Chemistry, 2015, 34 (2), pp.269-308. ⟨10.1080/0144235X.2015.1051354⟩
Article dans une revue hal-01508593v1
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Diabatization around Conical Intersections with a New Phase-Corrected Valence-Bond-Based Compression Approach

Yang Zhang , Wei Wang , Benjamin Lasorne , Peifeng Su , Wei Wu
Journal of Physical Chemistry Letters, 2021, 12 (7), pp.1885-1892. ⟨10.1021/acs.jpclett.0c03506⟩
Article dans une revue hal-03198676v1
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Attosecond electronic and nuclear quantum photodynamics of ozone monitored with time and angle resolved photoelectron spectra

Piero Decleva , Nicola Quadri , Aurelie Perveaux , David Lauvergnat , Fabien Gatti , et al.
Scientific Reports, 2016, 6 (1), ⟨10.1038/srep36613⟩
Article dans une revue hal-01508607v1

Second-order analysis of conical intersections: Applications to photochemistry and photophysics of organic molecules

Lluis Blancafort , Benjamin Lasorne , Michael J. Bearpark , Graham A. Worth , Michael A. Robb
The Jahn-Teller Effect - Advances and Perspectives, Springer, in press, 2009
Chapitre d'ouvrage hal-00383098v1

Direct dynamics with quantum nuclei

Benjamin Lasorne , Graham A. Worth
Multidimensional Quantum Dynamics: MCTDH Theory and Applications, Wiley-VCH, pp.113, 2009
Chapitre d'ouvrage hal-00383099v1

Diagnosis of two evaluation paths to density-based descriptors of molecular electronic transitions

Gabriel Breuil , Kaltrina Shehu , Elise Lognon , Sylvain Pitié , Benjamin Lasorne , et al.
State of The Art of Molecular Electronic Structure Computations: Correlation Methods, Basis Sets and More, 79, pp.289-310, 2019, ⟨10.1016/bs.aiq.2019.04.004⟩
Chapitre d'ouvrage hal-02395506v1
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Femtosecond wave-packet revivals in ozone

T. Latka , V. Shirvanyan , M. Ossiander , O. Razskazovskaya , A. Guggenmos , et al.
Physical Review A, 2019, 99 (6), pp.063405. ⟨10.1103/PhysRevA.99.063405⟩
Article dans une revue hal-02160477v1