Electronic structure of HeH/sub 2//sup +/. [Correlations, valence, Rydberg states]
Conference
·
· Int. J. Quant. Chem., Symp.; (United States)
OSTI ID:6324488
The electronic structure of the HeH/sub 2//sup +/ system consists of an intricate mixture of bound and repulsive states. As an initial step in a multidisciplinary study of this electronic structure a careful examination was made of the effects of correlation on the ground-state potential energy surface. A first treatment of the triatomic excited states is also reported in terms of the vertical excitation spectrum near the equilibrium geometry found for the ground state. The latter treatment concentrates on the valence and first few Rydberg states. 34 references.
- Research Organization:
- Science Applications, Inc., Dayton, OH
- OSTI ID:
- 6324488
- Report Number(s):
- CONF-780396-
- Conference Information:
- Journal Name: Int. J. Quant. Chem., Symp.; (United States) Journal Volume: 12
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
640302* -- Atomic
Molecular & Chemical Physics-- Atomic & Molecular Properties & Theory
74 ATOMIC AND MOLECULAR PHYSICS
BOUND STATE
CATIONS
CHARGED PARTICLES
CORRECTIONS
CORRELATIONS
ELECTRONIC STRUCTURE
EMISSION SPECTRA
ENERGY
ENERGY LEVELS
ENERGY-LEVEL TRANSITIONS
EQUILIBRIUM
EXCITATION
EXCITED STATES
GEOMETRY
HELIUM COMPOUNDS
HELIUM HYDRIDES
HYDRIDES
HYDROGEN COMPOUNDS
IONS
MATHEMATICS
POTENTIAL ENERGY
RARE GAS COMPOUNDS
RYDBERG CORRECTION
SPECTRA
SURFACES
Molecular & Chemical Physics-- Atomic & Molecular Properties & Theory
74 ATOMIC AND MOLECULAR PHYSICS
BOUND STATE
CATIONS
CHARGED PARTICLES
CORRECTIONS
CORRELATIONS
ELECTRONIC STRUCTURE
EMISSION SPECTRA
ENERGY
ENERGY LEVELS
ENERGY-LEVEL TRANSITIONS
EQUILIBRIUM
EXCITATION
EXCITED STATES
GEOMETRY
HELIUM COMPOUNDS
HELIUM HYDRIDES
HYDRIDES
HYDROGEN COMPOUNDS
IONS
MATHEMATICS
POTENTIAL ENERGY
RARE GAS COMPOUNDS
RYDBERG CORRECTION
SPECTRA
SURFACES