Nonadiabatic variational calculations for the ground state of the positronium molecule

Pawel M. Kozlowski, Ludwik Adamowicz

Research output: Contribution to journalArticle

68 Citations (Scopus)

Abstract

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.

Original languageEnglish (US)
Pages (from-to)1903-1908
Number of pages6
JournalPhysical Review A
Volume48
Issue number3
DOIs
StatePublished - 1993

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positronium
ground state
wave functions
molecules
expansion
Cartesian coordinates
variational principles
center of mass
energy
positrons
binding energy
electrons

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Atomic and Molecular Physics, and Optics

Cite this

Nonadiabatic variational calculations for the ground state of the positronium molecule. / Kozlowski, Pawel M.; Adamowicz, Ludwik.

In: Physical Review A, Vol. 48, No. 3, 1993, p. 1903-1908.

Research output: Contribution to journalArticle

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