Jastrow correlation factor for periodic systems
arXiv:1607.05921 · doi:10.1103/PhysRevB.94.035157
Abstract
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.
10 pages, 4 figures
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