Article ID Journal Published Year Pages File Type
5380405 Chemical Physics Letters 2015 6 Pages PDF
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
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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