Computing accurate forces in quantum Monte Carlo using Pulay's corrections and energy minimization

Casalegno, Mose, Mella, Massimo and Rappe, Andrew M. 2003. Computing accurate forces in quantum Monte Carlo using Pulay's corrections and energy minimization. The Journal of Chemical Physics 118 (16) , pp. 7193-7201. 10.1063/1.1562605

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Item Type:	Article
Date Type:	Publication
Status:	Published
Schools:	Chemistry
ISSN:	00219606
Last Modified:	19 Mar 2016 22:03
URI:	https://orca.cardiff.ac.uk/id/eprint/1458

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