Optimized trial wave functions for quantum Monte Carlo calculations

C. J. Umrigar, K. G. Wilson, and J. W. Wilkins
Phys. Rev. Lett. 60, 1719 – Published 25 April 1988
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Abstract

We present a procedure for obtaining optimized trial wave functions for use in quantum Monte Carlo calculations that have both smaller statistical errors and improved expectation values, compared to commonly used functions. Results are presented for several two-electron atoms and ions (including some excited states) and for the Be atom.

  • Received 24 December 1987

DOI:https://doi.org/10.1103/PhysRevLett.60.1719

©1988 American Physical Society

Authors & Affiliations

C. J. Umrigar, K. G. Wilson, and J. W. Wilkins

  • Theory Center and Laboratory of Atomic and Solid State Physics, Cornell University, Ithaca, New York 14853

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Issue

Vol. 60, Iss. 17 — 25 April 1988

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