H-2(+) molecular ion in a strong magnetic field: Ground state - art. no. 012504

摘要

A detailed quantitative analysis of the system of two protons and one electron (ppe) placed in magnetic field ranging from 10(9)-4.414x10(13) G is presented. The present study is focused on the question of the existence of the molecular ion H-2(+) 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 Bless than or similar to10(11) G, thus manifesting the existence of H-2(+). For Bgreater than or similar to10(11) G and large inclinations (of the molecular axis with respect to the magnetic line) the minimum disappears and hence the molecular ion H-2(+) does not exist. It is shown that the most stable configuration of H-2(+) always corresponds to protons situated along the magnetic line. With magnetic field growth the H-2(+) 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-2(+) ion exists reduces with magnetic field increase and finally becomes 0degrees-25degrees at B=4.414x10(13) G. Phase-transition-type behavior of variational parameters for some interproton distances related to the beginning of the chemical reaction H-2(+)<---->H+p is found. [References: 42]