6533b825fe1ef96bd1283167

RESEARCH PRODUCT

Spectroscopy of X2Y4 (D2h) molecules: tensorial formalism adapted to the O(3)⊃D2h chain, Hamiltonian and transition moment operators

Maud RotgerMichel LoeteW. RaballandVincent Boudon

subject

PhysicsFormalism (philosophy of mathematics)symbols.namesakeQuantum mechanicsComputationTransition dipole momentsymbolsMoleculePhysical and Theoretical ChemistryHamiltonian (quantum mechanics)SpectroscopySpectroscopyAtomic and Molecular Physics and Optics

description

Abstract A tensorial formalism adapted to the case of the X2Y4 molecules with D2h symmetry has been developed in the same way as in the previous works on XY4 (Td) and XY6 (Oh) spherical tops and XY5Z (C4v) symmetric tops. Here, we use the O(3)⊃D2h group chain. All the coupling coefficients and formulas for the computation of matrix elements are given for this chain and used in the case of the Hamiltonian and transition moment operators.

yearjournalcountryeditionlanguage
2003-02-01Journal of Molecular Spectroscopy
https://doi.org/10.1016/s0022-2852(02)00038-3