Optimized trial wave functions for quantum Monte Carlo calculations

25 April 1988

journal article
research article
Published by American Physical Society (APS) in Physical Review Letters

Vol. 60 (17) , 1719-1722
https://doi.org/10.1103/physrevlett.60.1719

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.

Keywords

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