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Communication Dans Un Congrès Année : 2014

Ro-vibrational spectroscopy in reduced dimensionality of physisorbed H2 molecules on a metallic surface (Ag, Cu)

Résumé

Ro-vibrational energy levels of a H2 molecule physisorbed on a metallic surface (Ag or Cu) Cu(100) are calculated, using a 5D or 2D potential energy function determined at different levels of approximation: periodic or cluster representation of the system, DFT or highly correlated wavefunction description.
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Dates et versions

hal-01081746 , version 1 (10-11-2014)

Identifiants

  • HAL Id : hal-01081746 , version 1

Citer

Gilberte Chambaud, Alexander Mitrushchenkov, C. Houriez, Marie Guitou, E. Bernard. Ro-vibrational spectroscopy in reduced dimensionality of physisorbed H2 molecules on a metallic surface (Ag, Cu). Workshop HeSSSMe 2014, Pilar de Lara Castells, Oct 2014, Madrid, Spain. ⟨hal-01081746⟩
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