Ground state of positronium hydride

Journal Article · Mon Sep 01 04:00:00 EDT 1997 · Physical Review A

DOI:https://doi.org/10.1103/PhysRevA.56.2417· OSTI ID:538516

Frolov, A M; Smith, Jr, V H ^[1]

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1. Department of Chemistry, Queens University, Kingston, Ontario, K7L3N6 (CANADA)

The ground bound state in the positronium hydride molecule (HPs) is determined from extensive variational four-body calculations with the James-Coolidge four-body variational expansion in the relative coordinates r{sub 12},r{sub 13},r{sub 23},r{sub 14},r{sub 24}, and r{sub 34}. For the positronium hydride with the infinitely heavy nucleus ({sup {infinity}}HPs) the total energy found, E={minus}0.7891369 a.u., is one of the lowest variational values published to date. A number of bound-state properties have been calculated also, including the {delta}-function expectation values, two-body cusps, and the two-photon annihilation rate. {copyright} {ital 1997} {ital The American Physical Society}

• OSTI ID: 538516
• Journal Information: Physical Review A, Journal Name: Physical Review A Journal Issue: 3 Vol. 56; ISSN 1050-2947; ISSN PLRAAN
• Country of Publication: United States
• Language: English

Related Subjects

66 PHYSICS
ELECTRONIC STRUCTURE
GROUND STATES
HYDRIDES
POSITRONIUM
POSITRONIUM COMPOUNDS
VARIATIONAL METHODS