- Title
- 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.
- Creators - without role
- Oriol Vendrell - Heidelberg UniversityMichael Brill - Heidelberg UniversityFabien Gatti - Université de Montpellier, Institut Charles Gerhardt Montpellier - ICGMDavid Lauvergnat - Laboratoire de Chimie PhysiqueHans-Dieter Meyer - Theoretische Chemie
- Publication Details
- The Journal of Chemical Physics
- Identifiers
- 9945597509311
- Academic Unit
- Institut Charles Gerhardt Montpellier - ICGM
- Language
- English
- Resource Type
- Journal article
- Local Fields
- hal-00412641
Journal article
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.
The Journal of Chemical Physics
16/06/2009
Metrics
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