Quantum chemistry by random walk: A faster algorithm
- 15 March 1985
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 82 (6) , 2662-2663
- https://doi.org/10.1063/1.448262
Abstract
Two extensions of the fixed-node random walk method of solving the Schrödinger equation are described. A simple iterative procedure is found to reduce time-step error and the use of two trial wave functions in place of one for importance sampling is found to reduce computation effort. In combination the two modifications reduce computation effort for a fixed accuracy by a factor of about 10.Keywords
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