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A two-chain path integral model of positronium

J. Chem. Phys. 113, 10642 (2000); doi:10.1063/1.1323979

Issue Date: 15 December 2000

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L. Larrimore and R. N. McFarland
Department of Physics and Astronomy, Swarthmore College, Swarthmore, Pennsylvania 19081

P. A. Sterne
Lawrence Livermore National Laboratory, Livermore, California 94550

Amy L. R. Bug
Department of Physics and Astronomy, Swarthmore College, Swarthmore, Pennsylvania 19081
We have used a path integral Monte Carlo technique to simulate positronium (Ps) in a cavity. The primitive propagator is used, with a pair of interacting chains representing the positron and electron. We calculate the energy and radial distribution function for Ps enclosed in a hard, spherical cavity, and the polarizability of the model Ps in the presence of an electrostatic field. We find that the positron distribution near the hard wall differs significantly from that for a single particle in a hard cavity. This leads to systematic deviations from predictions of free-volume models which treat Ps as an effective, single particle. A virial-type estimator is used to calculate the kinetic energy of the particle in the presence of hard walls. This estimator is found to be superior to a kinetic-type estimator given the interaction potentials, cavity sizes, and chain lengths considered in the current study. ©2000 American Institute of Physics.
History: Received 7 August 2000; accepted 19 September 2000
Permalink: http://link.aip.org/link/?JCPSA6/113/10642/1
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KEYWORDS and PACS

Keywords
PACS
  • 36.10.Dr
    Studies of special atoms, molecules, and their ions; clusters Exotic atoms and molecules (containing mesons, muons, and other unusual particles) Positronium, muonium, muonic atoms and molecules
  • 32.10.Dk
    Atomic properties and interactions with photons Properties of atoms and atomic ions Electric and magnetic moments, polarizability
  • 34.20.Cf
    Atomic and molecular collision processes and interactions Interatomic and intermolecular potentials and forces, potential energy surfaces for collisions Interatomic potentials and forces
  • 02.50.Ng
    Mathematical methods in physics Probability theory, stochastic processes, and statistics Distribution theory and Monte Carlo studies
  • YEAR: 2000

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PUBLICATION DATA

ISSN:
0021-9606 (print)   1089-7690 (online)
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REFERENCES (54)
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