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MRD-CI calculations on the potential energy curves of the ground and excited electronic states of the noble-gas hydrides, HeH, NeH and ArH

1984; IOP Publishing; Volume: 17; Issue: 8 Linguagem: Inglês

10.1088/0022-3700/17/8/008

1747-3721

Giannoula Theodorakopoulos, Stavros C. Farantos, Robert J. Buenker, Sigrid D. Peyerimhoff,

Quantum, superfluid, helium dynamics

MRD-CI calculations have been carried out for the ground- and some excited-state potential curves of He+H, Ne+H and Ar+H. Deep minima are obtained for the excited states at internuclear distances similar to those of the corresponding cations. The B2 Pi to A2 Sigma + computed transition energies do not support a previous assignment to this transition in ArH, at 7670 AA.