H{sub 2}{sup +} molecular ion in a strong magnetic field: Ground state

Journal Article · Tue Jul 01 04:00:00 EDT 2003 · Physical Review. A

DOI:https://doi.org/10.1103/PhysRevA.68.012504· OSTI ID:20639894

Turbiner, A V; Lopez Vieyra, J C ^[1]

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1. Instituto de Ciencias Nucleares, UNAM, Apartado Postal 70-543, 04510 Mexico, Distrito Federal, (Mexico)

A detailed quantitative analysis of the system of two protons and one electron (ppe) placed in magnetic field ranging from 10{sup 9}-4.414x10{sup 13} G is presented. The present study is focused on the question of the existence of the molecular ion H{sub 2}{sup +} in a magnetic field. A variational method with an optimization of the form of the vector potential (optimal gauge fixing) is used as a tool. It is shown that in the domain of applicability of the nonrelativistic approximation the (ppe) system in the Born-Oppenheimer approximation has a well-pronounced minimum in the total energy at a finite interproton distance for B(less-or-similar sign)10{sup 11} G, thus manifesting the existence of H{sub 2}{sup +}. For B(greater-or-similar sign)10{sup 11} G and large inclinations (of the molecular axis with respect to the magnetic line) the minimum disappears and hence the molecular ion H{sub 2}{sup +} does not exist. It is shown that the most stable configuration of H{sub 2}{sup +} always corresponds to protons situated along the magnetic line. With magnetic field growth the H{sub 2}{sup +} ion becomes more and more tightly bound and compact, and the electronic distribution evolves from a two-peak to a one-peak pattern. The domain of inclinations where the H{sub 2}{sup +} ion exists reduces with magnetic field increase and finally becomes 0 degree sign -25 degree sign at B=4.414x10{sup 13} G. Phase-transition-type behavior of variational parameters for some interproton distances related to the beginning of the chemical reaction H{sub 2}{sup +}{r_reversible}H+p is found.

• OSTI ID: 20639894
• Journal Information: Physical Review. A, Journal Name: Physical Review. A Journal Issue: 1 Vol. 68; ISSN 1050-2947; ISSN PLRAAN
• Country of Publication: United States
• Language: English

Related Subjects

74 ATOMIC AND MOLECULAR PHYSICS
BORN-OPPENHEIMER APPROXIMATION
CHEMICAL REACTIONS
DISTANCE
DISTRIBUTION
ELECTRONS
GROUND STATES
HYDROGEN IONS 2 PLUS
MAGNETIC FIELDS
MAGNETO-OPTICAL EFFECTS
OPTIMIZATION
PHASE TRANSFORMATIONS
POTENTIALS
PROTONS
VARIATIONAL METHODS
VECTORS