Study of the Rydberg States of H2

摘要

In this paper we apply a formalism based on an effective onehyphen;electron Hamiltonian to the Rydberg states of H2. It is assumed that the core can be represented by the groundhyphen;state wavefunction of H2+. The energies of the3Sgr;g,3Sgr;u,1Sgr;u,3Pgr;u, and1Pgr;ustates have been calculated atRAB=2.0 a.u. The good agreement between theory and experiment obtained for the3Sgr;g,3Sgr;u,3Pgr;u, and1Pgr;ustates indicates that the frozenhyphen;core approximation gives an accurate description of these states. We examine the discrepancy between theory and experiment in the case of the1Sgr;ustates and suggest a criterion to determine the applicability of the frozenhyphen;core approximation to Rydberg states of diatomic molecules.