A Monte Carlo method for quantum chemistry

1 December 1969

journal article
research article
Published by Taylor & Francis in Molecular Physics

Vol. 17 (6) , 627-631
https://doi.org/10.1080/00268976900101501

Abstract

A Monte Carlo method is described for evaluating quantities such as E = <ψ|H|ψ>/<ψ|ψ> and other expectation values. The method is in principle applicable to a wave function of any number of electrons. As an example, a two-parameter wave function for helium is studied.

Keywords

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