CALCULATION OF BOUND ROVIBRATIONAL STATES ON THE 1ST ELECTRONICALLY EXCITED-STATE OF THE H-3 SYSTEM

The bound rovibrational states of the upper manifold of the two lowest electronic states of H3 have been calculated using variational and hyperspherical coordinate propagation methods, neglecting in both the coupling between those electronic states. Inclusion of the effect of the geometric phase induced by the conical intersection between those manifolds (sometimes referred to as the molecular Aharonov-Bohm effect) is shown to change significantly the number, the energies and the wavefunctions of those bound rovibrational states. Quantum numbers are defined which permit a physical understanding of these changes. © 1990.