Full Dimensional (15D) Quantum-Dynamical Simulation of the Protonated Water-Dimer III: Mixed Jacobi-valence parametrization and benchmark results for the zero-point-energy, vibrationally excited states and infrared spectrum. - Archive ouverte HAL Accéder directement au contenu
Article Dans Une Revue Journal of Chemical Physics Année : 2009

Full Dimensional (15D) Quantum-Dynamical Simulation of the Protonated Water-Dimer III: Mixed Jacobi-valence parametrization and benchmark results for the zero-point-energy, vibrationally excited states and infrared spectrum.

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Chimie théorique et/ou physique

Fabien Gatti  : Connectez-vous pour contacter le contributeur

https://hal.science/hal-00412641

Soumis le : mercredi 2 septembre 2009-13:04:05

Dernière modification le : jeudi 11 avril 2024-13:08:12

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hal-00412641 , version 1 (02-09-2009)

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Oriol Vendrell, Michael Brill, Fabien Gatti, David Lauvergnat, Hans-Dieter Meyer. Full Dimensional (15D) Quantum-Dynamical Simulation of the Protonated Water-Dimer III: Mixed Jacobi-valence parametrization and benchmark results for the zero-point-energy, vibrationally excited states and infrared spectrum.. Journal of Chemical Physics, 2009, pp.234305. ⟨10.1063/1.3152488⟩. ⟨hal-00412641⟩

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