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
Article dans une revue
hal-04076000v1
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Fast and slow excited-state intramolecular proton transfer in 3-hydroxychromone: A two-state story?
Aurelie Perveaux
,
Maxime Lorphelin
,
Benjamin Lasorne
,
David Lauvergnat
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.
Article dans une revue
hal-02108321v1
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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
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
Article dans une revue
hal-02912990v1
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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.
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.
Article dans une revue
hal-03859676v1
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Nonadiabatic interactions in wave packet dynamics of the bromoacetyl chloride photodissociation
Benjamin Lasorne
,
Marie-Christine Bacchus-Montabonel
,
Nathalie Vaeck
,
Michele Desouter-Lecomte
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
Article dans une revue
hal-02498342v1
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Direct quantum dynamics using variational multi-configuration Gaussian wavepackets. Implementation details and test case
Benjamin Lasorne
,
Michael A. Robb
,
Graham A. Worth
Article dans une revue
istex
hal-00382791v1
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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
Article dans une revue
istex
hal-00590716v1
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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
Article dans une revue
hal-01161532v1
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Vibronic properties of para -polyphenylene ethynylenes: TD-DFT insights
Emmeline Kim-Lien Ho
,
Thibaud Etienne
,
Benjamin Lasorne
Article dans une revue
hal-01521848v1
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Applications of Quantum Dynamics in Chemistry
Fabien Gatti
,
Benjamin Lasorne
,
Hans-Dieter Meyer
,
André Nauts
Ouvrages
hal-01630051v1
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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.
Article dans une revue
hal-00905569v1
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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.
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
Article dans une revue
hal-00538796v1
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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.
Article dans une revue
hal-00725502v1
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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
Article dans une revue
hal-02912986v1
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Excitation energy transfer and vibronic relaxation through light-harvesting dendrimer building blocks: A nonadiabatic perspective
Joachim Galiana
,
Benjamin Lasorne
Article dans une revue
hal-04543796v1
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Direct quantum dynamics using variational multi-configuration Gaussian wavepackets
Benjamin Lasorne
,
Michael J. Bearpark
,
Michael A. Robb
,
Graham A. Worth
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
Article dans une revue
hal-02160459v1
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Quantum dynamics simulations using Gaussian wavepackets: the vMCG method
Gareth W. Richings
,
Iakov Polyak
,
Kaite E. Spinlove
,
Graham A. Worth
,
Irene Burghardt
,
et al.
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
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.
Article dans une revue
hal-01508607v1
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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
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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
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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.
Article dans une revue
hal-02160477v1
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