Search results for "quasi-spherical tops"

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The SO2F2 quasi-spherical top: Correspondence between tensorial and Watson's formalisms

2006

Abstract The SO2F2 quasi-spherical top molecule with C2v symmetry is considered as a distorted spherical top deriving from the SO 4 2 − tetrahedral ion. We present here a detailed correspondence between the tensorial formalism using the Td⊃C2v reorientation and the usual Hamiltonian of Watson. We have also performed ab initio calculations in order to determine the centrifugal distorsion constants in the vibrational ground state.

reductions01 natural sciencesasymmetric top moleculesAnalytical ChemistryIon010309 opticsInorganic Chemistrysymbols.namesakeAb initio quantum chemistry methodsQuantum mechanics0103 physical sciencesPhysics::Atomic and Molecular ClustersPhysics::Chemical Physics010306 general physicsSpectroscopy[PHYS.PHYS.PHYS-AO-PH]Physics [physics]/Physics [physics]/Atmospheric and Oceanic Physics [physics.ao-ph]Chemistryab initio calculationsOrganic ChemistryRotation formalisms in three dimensionsFormalism (philosophy of mathematics)[ PHYS.PHYS.PHYS-AO-PH ] Physics [physics]/Physics [physics]/Atmospheric and Oceanic Physics [physics.ao-ph]symbolsTetrahedronGround stateHamiltonian (quantum mechanics)tensorial formalismquasi-spherical tops
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