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RESEARCH PRODUCT

Rovibrational Interactions in the Local-Mode Limit: The (n000) Stretching Overtone Bands of Spherical Tops

Claude LeroyV. BoujutF. Michelot

subject

Physics010304 chemical physics[ PHYS.QPHY ] Physics [physics]/Quantum Physics [quant-ph]OvertoneRotational–vibrational spectroscopyTOPS01 natural sciencesAtomic and Molecular Physics and Opticssymbols.namesakeFormalism (philosophy of mathematics)Then test[PHYS.QPHY]Physics [physics]/Quantum Physics [quant-ph]Local symmetry0103 physical sciencessymbolsPhysics::Atomic and Molecular ClustersPhysics::Atomic PhysicsPhysical and Theoretical ChemistryAtomic physicsPhysics::Chemical Physics010306 general physicsHamiltonian (quantum mechanics)Spectroscopy[PHYS.QPHY] Physics [physics]/Quantum Physics [quant-ph]

description

Abstract We present a tensorial formalism adapted to the study of the ( n 000) rovibrational stretching states of spherical tops in the local mode limit. A local symmetrized rovibrational basis is built to take explicitly into account the fact that, in these states, the local symmetry is C 3ν rather than T d . Likewise, we introduce local rovibrational operators to build an effective Hamiltonian for these states. We then test our model by fitting the energy levels of 28 SiH 4 for 3 ≤ n ≤ 5.

https://hal.archives-ouvertes.fr/hal-00449017