Bright-to-dark-to-bright photoisomerisation in a forked (phenylene ethynylene) dendrimer prototype and its building blocks: a new mechanistic shortcut for excitation-energy transfe... von Breuil, G., Etienne, T., Lasorne, B.

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Direct quantum dynamics using variational multi-configuration gaussian wavepackets. Implementation details and test case von LASORNE, B, ROBB, M. A, WORTH, G. A

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Attosecond electronic and nuclear quantum photodynamics of ozone: time-dependent Dyson orbitals and dipole von Perveaux, A, Lauvergnat, D, Lasorne, B, Gatti, F, Robb, M A, Halász, G J, Vibók, Á

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Wave packets in a bifurcating region of an energy landscape: Diels-Alder dimerization of cyclopentadiene von Lasorne, B, Dive, G, Desouter-Lecomte, M

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Wave packet dynamics along bifurcating reaction paths von Lasorne, B., Dive, G., Lauvergnat, D., Desouter-Lecomte, M.

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Attosecond electronic and nuclear quantum photodynamics of the ozone molecule von Halász, G J, Perveaux, A, Lasorne, B, Robb, M A, Gatti, F, Vibók, Á

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Nonadiabatic interactions in wave packet dynamics of the bromoacetyl chloride photodissociation von Lasorne, B, Bacchus-Montabonel, M-C, Vaeck, N, Desouter-Lecomte, M

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Cumulative reaction probability by constrained dynamics: H transfer in HCN, H2CO, and H3CO von Baloı̈tcha, E., Lasorne, B., Lauvergnat, D., Dive, G., Justum, Y., Desouter-Lecomte, M.

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Coherence revival during the attosecond electronic and nuclear quantum photodynamics of the ozone molecule von Halász, G. J., Perveaux, A., Lasorne, B., Robb, M. A., Gatti, F., Vibók, Á.

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Cumulative isomerization probability studied by various transition state wave packet methods including the MCTDH algorithm. Benchmark: HCN-->CNH isomerization von Lasorne, B, Gatti, F, Baloitcha, E, Meyer, H-D, Desouter-Lecomte, M

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The electronic excited states of ethylene with large-amplitude deformations: A dynamical symmetry group investigation von Lasorne, B., Robb, Michael A., Meyer, Hans-Dieter, Gatti, F.

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Quantum dynamics simulations of photodissociation reactions von Lasorne, B., Bacchus-Montabonel, M. C., Vaeck, N., Desouter-Lecomte, M.

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Simulation of laser-induced quantum dynamics of the electronic and nuclear motion in the ozone molecule on the attosecond time scale von Halász, G. J., Perveaux, A., Lasorne, B., Robb, M. A., Gatti, F., Vibók, Á.

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Femtosecond wave-packet revivals in ozone von Latka, T., Shirvanyan, V., Ossiander, M., Razskazovskaya, O., Guggenmos, A., Jobst, M., Fieß, M., Holzner, S., Sommer, A., Schultze, M., Jakubeit, C., Riemensberger, J., Bernhardt, B., Helml, W., Gatti, F., Lasorne, B., Lauvergnat, D., Decleva, P., Halász, G. J., Vibók, Á., Kienberger, R.

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Applications of Quantum Dynamics in Chemistry von Gatti, Fabien

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Erratum to “The electronic excited states of ethylene with large-amplitude deformations: A dynamical symmetry group investigation” [Chemical Physics 377 (2010) 30–45] von Lasorne, B., Robb, Michael A., Meyer, Hans-Dieter, Gatti, F.

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Non-adiabatic effects in the photodissociation of bromoacetyl chloride von Bacchus-Montabonel, Marie-Christine, Vaeck, Nathalie, Lasorne, Benjamin, Desouter-Lecomte, Michèle

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Analytical nonadiabatic couplings and gradients within the state-averaged orbital-optimized variational quantum eigensolver von Yalouz, S., Koridon, E., Senjean, B., Lasorne, B., Buda, F., Visscher, L.

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On the preservation of coherence in the electronic wavepacket of a neutral and rigid polyatomic molecule von Csehi, A, Badankó, P, Halász, G J, Vibók, Á, Lasorne, B

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Vibronic Couplings von Lasorne, Benjamin, Nauts, André, Gatti, Fabien, Meyer, Hans-Dieter

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