The Journal of Chemical Physics · 1984 · 32 citations · 14 references
Natural SciencesChemistryPhysicsComputational ChemistryMolecular PhysicsQuantum ChemistryAb Initio MethodsMolecular Excited StatesMolecular Orbital TheoryVibrational SpectroscopyPotential Energy CurvesPotential Energy FunctionsPotential FunctionsRotational LevelsRotational-vibrational InteractionRotational-vibrational StructureSpontaneous EmissionVibrational Energy Levels
Calculated radiative transition probabilities between all vibrational levels in the X 1Σ+ state (v=0–21) and in the A 1Σ+ state (v=0–32) of NaH are given. In addition, the calculated spontaneous emission lifetimes for vibrational–rotational levels (J=0,1) and the calculated dipole moments for these same levels are given. The calculations use new hybrid potential energy curves based on Rydberg–Klein–Rees (RKR) and ab initio potential curves. The RKR curve for the X state is new. The calculations use new ab initio dipole moment functions of internuclear distance.
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Wilfried Meyer, P. Rosmus · The Journal of Chemical Physics · 1975 · 533 citations
Natural Sciences, Chemistry, Physics +17
MCSCF calculations for six states of NaH
Edward S. Sachs, Juergen Hinze, Nora H. Sabelli · The Journal of Chemical Physics · 1975 · 92 citations
Natural Sciences, Chemistry, Physics +15
ATOMIC TRANSITION PROBABILITIES. VOLUME 1. HYDROGEN THROUGH NEON
W. L. Wiese, Mary W. Smith, B M Glennon · 1966 · 87 citations