Thermodynamic properties of a quantum chain of atoms using the path-integral effective-potential theory with all-neighbor forces

Zizhong Zhu, Shudun Liu, George K. Horton, and E. Roger Cowley
Phys. Rev. B 45, 7122 – Published 1 April 1992
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Abstract

A technique based on the path-integral effective-potential theory to calculate the thermodynamic properties of a linear chain of atoms is extended to include all-neighbor interactions. The configuration averages are performed using the classical Monte Carlo technique. The theory is applied to a system interacting with a Mie–Lennard-Jones potential to make contact with earlier work. Results for the internal energy and specific heat are presented and compared with those using only nearest-neighbor interactions and the quantum Monte Carlo method. This is a useful step toward the application of the effective-potential theory to realistic systems with long-range interactions.

  • Received 27 March 1991

DOI:https://doi.org/10.1103/PhysRevB.45.7122

©1992 American Physical Society

Authors & Affiliations

Zizhong Zhu, Shudun Liu, and George K. Horton

  • Serin Physics Laboratory, Rutgers(emThe State University of New Jersey, P.O. Box 849, Piscataway, New Jersey 08855-0849

E. Roger Cowley

  • Department of Physics, Camden College of Arts and Science, Rutgers(emThe State University of New Jersey, Camden, New Jersey 08102-1205

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Issue

Vol. 45, Iss. 13 — 1 April 1992

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