Physica Scripta · 1974 · 24 citations · 7 references
Natural SciencesChemistryPhysicsQuantum ChemistryQuantum MechanicsSpectroscopyAb Initio MethodsAbsorption SpectroscopyAtomic SpectraMolecular Orbital TheoryOptical SpectroscopyAbsorption Of Coordination CompoundsAbsorption SpectrumElectronic Absorption SpectraGround State PropertiesSpectral Absorption BandsUltraviolet Absorption FeaturesUltraviolet Absorption LinesVibrational Absorption Bands
The absorption bands of CaH at 2 883 and 2 852 Å have together with a new band at 2 821 Å been interpreted as a transition from a d -complex to the ground state X 2 Σ + . A Hamiltonian matrix has been constructed for the three upper states G 2 Σ + , J 2 Π and M 2 Δ and the constants for the deperturbed states have been evaluated. The constants reproduce the observed term values within 0.2 cm -1 . The ionisation potential of CaH is estimated to 47 250 ± 750 cm -1 .
7