6533b7d5fe1ef96bd1263af5

RESEARCH PRODUCT

Development of the Hamiltonian and transition moment operators of symmetric top molecules using the O(3)⊃C∞v⊃C3v group chain

Michel LoeteA. El HilaliVincent Boudon

subject

PhysicsTransition dipole momentRotational–vibrational spectroscopyAtomic and Molecular Physics and OpticsDipolesymbols.namesakeFormalism (philosophy of mathematics)PolarizabilityQuantum mechanicssymbolsMoleculePhysical and Theoretical ChemistryHamiltonian (quantum mechanics)Spectroscopy

description

Abstract We present a development of the Hamiltonian, dipole moment, and polarizability operators for XY3Z molecules. These rovibrational operators are written with the aid of a tensorial formalism derived from the one already used in Dijon and adapted to the XY3Z symmetric tops in a recent paper [A. El Hilali, V. Boudon, M. Loete, J. Mol. Spectrosc. 234 (2005) 166–174]. We use the O (3) ⊃ C∞v ⊃ C3v group chain. Expressions for the matrix elements are derived for these operators.

yearjournalcountryeditionlanguage
2005-11-01Journal of Molecular Spectroscopy
https://doi.org/10.1016/j.jms.2005.09.005