Nonadiabatic variational calculations for the ground state of the positronium molecule

Journal Article · Wed Sep 01 04:00:00 EDT 1993 · Physical Review A; (United States)

DOI:https://doi.org/10.1103/PhysRevA.48.1903· OSTI ID:6023462

Kozlowski, P M; Adamowicz, L ^[1]

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1. Department of Chemistry, University of Arizona, Tucson, Arizona 85721 (United States)

For a four-particle system consisting of two electrons and two positrons, the nonadiabatic wave function is constructed with the use of an expansion in terms of explicitly correlated Gaussian-type basis functions and a Cartesian-coordinate laboratory frame. Motions of all particles are correlated at the same time in the wave function. The energy of the center-of-mass motion is effectively eliminated from the total nonrelativistic energy of the system by defining the variational principle based on the internal Hamiltonian. The ground-state energy is computed for different lengths of Gaussian expansions and values are compared with previous literature results. Our best estimation of the binding energy of the positronium molecule is 0.435 eV.

• OSTI ID: 6023462
• Journal Information: Physical Review A; (United States), Journal Name: Physical Review A; (United States) Vol. 48:3; ISSN 1050-2947; ISSN PLRAAN
• Country of Publication: United States
• Language: English

Related Subjects

664500* -- Special Atoms & Molecules-- (1992-)
74 ATOMIC AND MOLECULAR PHYSICS
ANTILEPTONS
ANTIMATTER
ANTIPARTICLES
BINDING ENERGY
CALCULATION METHODS
CENTER-OF-MASS SYSTEM
DIABATIC APPROXIMATION
ELECTRONS
ELEMENTARY PARTICLES
ENERGY
ENERGY LEVELS
FERMIONS
FOUR-BODY PROBLEM
FUNCTIONS
GROUND STATES
LEPTONS
MANY-BODY PROBLEM
MATTER
MOLECULES
POSITRONIUM COMPOUNDS
POSITRONS
VARIATIONAL METHODS
WAVE FUNCTIONS