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Jastrow Correlation Factor for Periodic Systems by Whitehead, T. M.; Michael, M. H.; Conduit, G. J. is a scholarly article available to read on EtoBox.

What is Jastrow Correlation Factor for Periodic Systems about?

We propose a Jastrow factor for electron-electron correlations that interpolates between the radial symmetry of the Coulomb interaction at short inter-particle distance and the space-group symmetry of the simulation cell at large separation. The proposed Jastrow factor captures comparable levels of the correlation energy to current formalisms, is 40% quicker to evaluate, and offers benefits in ease of use, as we demonstrate in quantum Monte Carlo simulations.

Author

Whitehead, T. M.; Michael, M. H.; Conduit, G. J.

Published

2016

Language

EN