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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