One-electron diatomics in momentum space. VII. Nonvariational approach to ground and excited states of heteronuclear systems

Journal Article · Mon Jul 15 04:00:00 EDT 1991 · Journal of Chemical Physics; (USA)

DOI:https://doi.org/10.1063/1.461137· OSTI ID:5540046

Koga, T; Horiguchi, T ^[1]; Ishikawa, Y ^[2]

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1. Department of Applied Chemistry, Muroran Institute of Technology, Muroran, Hokkaido 050, Japan (JP)
2. Department of Chemistry, University of Puerto Rico, Rio Piedras, Puerto Rico 00931 (PR)

The nonvariational method proposed previously for the solution of the momentum-space Schroedinger equation is applied to the ground and various excited states of one-electron heteronuclear diatomic systems. Detailed numerical results are reported for 34 electronic states of the HeH{sup 2+} system. The method is demonstrated to give highly accurate electronic energies for heteronuclear systems as for the case of the homonuclear H{sup +}{sub 2} system.

• OSTI ID: 5540046
• Journal Information: Journal of Chemical Physics; (USA), Journal Name: Journal of Chemical Physics; (USA) Vol. 95:2; ISSN JCPSA; ISSN 0021-9606
• Country of Publication: United States
• Language: English

Related Subjects

640302* -- Atomic
Molecular & Chemical Physics-- Atomic & Molecular Properties & Theory
74 ATOMIC AND MOLECULAR PHYSICS
CHARGED PARTICLES
DATA
ELECTRONIC STRUCTURE
ENERGY LEVELS
EXCITED STATES
GROUND STATES
HELIUM COMPOUNDS
HELIUM HYDRIDES
HYDRIDES
HYDROGEN COMPOUNDS
INFORMATION
IONS
MOLECULAR IONS
NUMERICAL DATA
RARE GAS COMPOUNDS
THEORETICAL DATA