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Ground state of a hydrogen molecule in superstrong magnetic fields

Gerardo Ortiz, Matthew D. Jones, and David M. Ceperley
Phys. Rev. A 52, R3405(R) – Published 1 November 1995
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Abstract

We study the ground-state structural properties of a hydrogen molecule in superstrong magnetic fields (B1012 G) using quantum Monte Carlo (fixed-phase and variational) approaches. We determine that the ground state (spin-triplet) belongs to the sector of total (z-component) angular momentum M=-1 (3Π0), meaning that paramagnetic contributions to the total energy cannot be neglected. This non-time-reversal invariant ground state has a strong interatomic interaction, suggesting that a hydrogen gas under the same physical conditions has a tendency to form strong bonded molecules.

  • Received 22 August 1995

DOI:https://doi.org/10.1103/PhysRevA.52.R3405

©1995 American Physical Society

Authors & Affiliations

Gerardo Ortiz, Matthew D. Jones, and David M. Ceperley

  • Department of Physics, National Center for Supercomputing Applications, University of Illinois at Urbana-Champaign, 1110 West Green Street, Urbana, Illinois 61801

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Vol. 52, Iss. 5 — November 1995

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