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RESEARCH PRODUCT
A local picture associated with a triply degenerate vibrational mode: vibrational and rovibrational local states
Claude LeroyV. BoujutF. Michelotsubject
Physics[ PHYS.QPHY ] Physics [physics]/Quantum Physics [quant-ph]Degenerate energy levelsBiophysicsRotational–vibrational spectroscopyCondensed Matter Physicslaw.inventionsymbols.namesakelawQuantum mechanicsExcited statesymbolsMoleculeCartesian coordinate systemPhysics::Chemical PhysicsPhysical and Theoretical ChemistryAtomic physicsHamiltonian (quantum mechanics)Molecular Biology[PHYS.QPHY] Physics [physics]/Quantum Physics [quant-ph]description
International audience; Abstract: A symmetrized basis adapted to the study of some vibrational excited states of spherical top molecules is proposed. This basis, consistent with the Cartesian picture associated with a three-dimensional mode, is then tested numerically through various XY6 and XY4 molecules. In addition, some simulations, made with 238UF6 and a simplified version of an effective Hamiltonian, clearly show that the method can be further extended through the construction of a symmetrized local rovibrational basis.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 1998-01-01 | Molecular Physics |