Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5380405 | Chemical Physics Letters | 2015 | 6 Pages |
Abstract
Evolution of a wave function in a fixed-node diffusion Monte Carlo simulation guided by a genetic algorithm. The top panel shows an initial guess at the wave function and its nodal surface; the middle panel shows a typical individual in the population of possible solutions. The bottom panel shows a high fitness, converged, individual from the final generation of individuals. 62
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Physical and Theoretical Chemistry
Authors
Angeline Wairegi, David Farrelly,