Molecular ion-pair states in ungerade H{sub 2}

Journal Article · Tue Nov 15 00:00:00 EST 2011 · Physical Review. A

DOI:https://doi.org/10.1103/PHYSREVA.84.052512· OSTI ID:22093513

Kirrander, Adam ^[1]; Jungen, Christian ^[1]

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1. Laboratoire Aime Cotton du Centre National de la Recherche Scientifique, Universite de Paris-Sud, F-91405 Orsay (France)

Molecular ion-pair states are analogs of electronic Rydberg states, but with the electron replaced by a much heavier ion. We calculate ab initio the long-range vibrational H{sup +}H{sup -} ion-pair states in H{sub 2} for ungerade {sup 1}{Sigma}{sub u}{sup +} symmetry, corresponding to recent observations by Ekey and McCormack [Phys. Rev. A 84, 020501 (2011)]. The overall trends in the experiment are reproduced and many peaks can be assigned. The calculations yield interloper resonances corresponding to vibrational states trapped inside the barriers on the potential-energy curves 5,6 {sup 1}{Sigma}{sub u}{sup +}.

• OSTI ID: 22093513
• Journal Information: Physical Review. A, Vol. 84, Issue 5; Other Information: (c) 2011 American Institute of Physics; Country of input: International Atomic Energy Agency (IAEA); ISSN 1050-2947
• Country of Publication: United States
• Language: English

Related Subjects

74 ATOMIC AND MOLECULAR PHYSICS
ELECTRONIC STRUCTURE
ELECTRONS
HEAVY IONS
HYDROGEN
HYDROGEN IONS 1 MINUS
HYDROGEN IONS 1 PLUS
ION PAIRS
MOLECULAR IONS
POTENTIAL ENERGY
RESONANCE
RYDBERG STATES
TRAPPING
VIBRATIONAL STATES