H{sub 3}{sup +} molecular ion in a magnetic field: Linear parallel configuration

Journal Article · Tue May 15 04:00:00 EDT 2007 · Physical Review. A

DOI:https://doi.org/10.1103/PHYSREVA.75.053408· OSTI ID:20982550

Turbiner, A V; Guevara, N L; Lopez Vieyra, J C ^[1]

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1. Instituto de Ciencias Nucleares, Universidad Nacional Autonoma de Mexico, Apartado Postal 70-543, 04510 Mexico, D.F. (Mexico)

A detailed study of the ground state of the H{sub 3}{sup +} molecular ion in linear configuration, parallel to the magnetic field direction, and its low-lying {sigma}, {pi}, and {delta} states is carried out for magnetic fields B=0-4.414x10{sup 13} G in the Born-Oppenheimer approximation. The variational method is employed with a single trial function which includes electronic correlation in the form exp({gamma}r{sub 12}), where {gamma} is a variational parameter. It is shown that the quantum numbers of the state of the lowest total energy (ground state) depend on the magnetic field strength. The ground state evolves from the spin-singlet {sup 1}{sigma}{sub g} state for weak magnetic fields B(less-or-similar sign)5x10{sup 8} G to a weakly bound spin-triplet {sup 3}{sigma}{sub u} state for intermediate fields and, eventually, to a spin-triplet {sup 3}{pi}{sub u} state for 5x10{sup 10}(less-or-similar sign)B(less-or-similar sign)4.414x10{sup 13} G. Local stability of the linear parallel configuration with respect to possible small deviations is checked.

• OSTI ID: 20982550
• Journal Information: Physical Review. A, Journal Name: Physical Review. A Journal Issue: 5 Vol. 75; ISSN 1050-2947; ISSN PLRAAN
• Country of Publication: United States
• Language: English

Related Subjects

74 ATOMIC AND MOLECULAR PHYSICS
BORN-OPPENHEIMER APPROXIMATION
CONFIGURATION
ELECTRON CORRELATION
GROUND STATES
HYDROGEN
MAGNETIC FIELDS
MOLECULAR IONS
MOLECULAR STRUCTURE
QUANTUM NUMBERS
SPIN
TRIPLETS
VARIATIONAL METHODS