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Variational quantum Monte Carlo ground state of lithium on a Slater orbital basis

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  • Eckstein, H.
  • Schattke, W.

Abstract

The ground state of bulk lithium at zero temperature is simulated by the variational quantum Monte Carlo algorithm. The total energy and its constituents are determined for two parametrized sets of trial wave functions. Including correlation by a Jastrow factor the one-determinant ansatz consists of either plane waves or a linear combination of Slater orbitals for the Li 2s states. The latter yields results near those of the diffusion Monte Carlo algorithm.

Suggested Citation

  • Eckstein, H. & Schattke, W., 1995. "Variational quantum Monte Carlo ground state of lithium on a Slater orbital basis," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 216(1), pages 151-157.
    • Handle: RePEc:eee:phsmap:v:216:y:1995:i:1:p:151-157
    DOI: 10.1016/0378-4371(95)00059-G
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    1. Fizel, John L. & Louie, Kenneth K. T. & Mentzer, Marc S., 1990. "An economic, organizational and behavioral model of the determinants of CEO tenure," Journal of Economic Behavior & Organization, Elsevier, vol. 14(3), pages 363-379, December.
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