Nonadiabatic coupling between the EF + GK + H sup 1. Sigma. sup + sub g , I sup 1. Pi. sub g , and J sup 1. Delta. sub g states of the hydrogen molecule. Calculation of rovibronic structures in H sub 2 , HD, and D sub 2

Journal Article · Fri Jun 15 00:00:00 EDT 1990 · Journal of Chemical Physics; (USA)

DOI:https://doi.org/10.1063/1.458181· OSTI ID:6807518

Quadrelli, P; Dressler, K; Wolniewicz, L ^[1]

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1. Physical Chemistry Laboratory, ETH-Zentrum, CH-8092 Zurich, Switzerland (CH)

The Born--Oppenheimer potential curves of the first two excited {sup 1}{Sigma}{sup +}{sub {ital g}} states of H{sub 2}, {ital EF} and {ital GK}, exhibit double minima which arise from avoided crossings between the electronic energy curves of the doubly excited 1{sigma}{sup 2}{sub {ital u}} configuration and of the {sup 1}{Sigma}{sup +}{sub {ital g}} Rydberg states of the 1{sigma}{sub {ital g}}2{ital s}{sigma}{sub {ital g}} and 1{sigma}{sub {ital g}}3{ital d}{sigma}{sub {ital g}} configurations. The vibrational structures of the adiabatic electronic states are mutually coupled {ital via} strongly {ital R}-dependent off-diagonal electronic matrix elements of the {ital d}/{ital dR} and {ital d}{sup 2}/{ital dR}{sup 2} operators. Furthermore the rotational structures are characterized by strong angular coupling within the complex of 3{ital d}-singlet-{ital gerade} states {ital G} {sup 1}{Sigma}{sup +}{sub {ital g}}, {ital I} {sup 1}{Pi}{sub {ital g}}, and {ital J} {sup 1}{Delta}{sub {ital g}}.

• OSTI ID: 6807518
• Journal Information: Journal of Chemical Physics; (USA), Vol. 92:12; ISSN 0021-9606
• Country of Publication: United States
• Language: English

Related Subjects

74 ATOMIC AND MOLECULAR PHYSICS
DEUTERIUM
ELECTRONIC STRUCTURE
HYDROGEN
HYDROGEN DEUTERIDE
EXCITED STATES
POTENTIAL ENERGY
ROTATIONAL STATES
RYDBERG STATES
DEUTERIDES
DEUTERIUM COMPOUNDS
ELEMENTS
ENERGY
ENERGY LEVELS
HYDROGEN COMPOUNDS
HYDROGEN ISOTOPES
ISOTOPES
LIGHT NUCLEI
NONMETALS
NUCLEI
ODD-ODD NUCLEI
STABLE ISOTOPES
640302* - Atomic
Molecular & Chemical Physics- Atomic & Molecular Properties & Theory