Calculation of the Rydberg-state energies ofHCl
1997
A recently developed perturbation theory method for the
calculation of the energies of molecular Rydberg orbitals of diatomic
molecules is extended to allow the calculation of the energies of
Rydberg states above the ground state of the HCl molecule. With the
exception of the lowest energy states, the calculated energies agree
to within 1% with the experimental absorption spectroscopy values.
This is achieved using only one selectable parameter which is
determined by a simple algorithm. All other parameters are determined
by the initial choice of a model system or by experiment for the
spin–orbit coupling constant and the ionisation potential.
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