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Jastrow correlation factor for periodic systems

delete2016-07-28
delete9
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OA
AI
T
Thomas M. Whitehead *
M
Merritt Michael
G
G. J. Conduit
DOI：10.1103/PhysRevB.94.035157delete
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摘要

摘要

En 中文
We propose a Jastrow factor for electron-electron correlations that interpolates between the radial symmetry of the Coulomb interaction at short interparticle 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.
Keyword:
QUANTUM MONTE-CARLO
WAVE-FUNCTIONS
ELECTRON-GAS
GROUND-STATE
MINIMIZATION TECHNIQUES
ENERGY
SOLIDS
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期刊

Physical Review B 封面图
Physical Review B
IF:
3.7
论文数:
15.4W
被引数:
41.0W

机构

U
University of Cambridge
学者数:
7.7W
论文数: 7.1W
被引数: 13.7W
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