Publication | Closed Access
Calculations for vibration-rotation levels of HD<sup>+</sup>, in particular for high<i>N</i>
80
Citations
29
References
1993
Year
EngineeringNuclear PhysicsComputational ChemistryChemistryElectronic Excited StateSpectra-structure CorrelationVibrationsVibration-rotation LevelsNonlinear VibrationPhysicsAtomic PhysicsPhysical ChemistryQuantum ChemistryAb-initio MethodExcited State PropertyTransformed HamiltonianNatural SciencesSpectroscopyApplied PhysicsMechanical SystemsRadiative CorrectionsNonlinear ResonanceVibration ControlDissociation Energies
Abstract Nonadiabatic dissociation energies are calculated for 619 vibration-rotation levels of the ground electronic state of HD+ using a transformed Hamiltonian and an artificial-channels scattering method. In particular, coupling of rotational and electronic angular momenta is accounted for, so that levels with high N may be studied. Relativistic and radiative corrections are added to give dissociation energies, from which calculated transition energies may be compared with the experimentally available values; the agreement is good, in most cases to within experimental error (0·001 cm-1).
| Year | Citations | |
|---|---|---|
Page 1
Page 1