Rights statement: © 2004 The American Physical Society
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Research output: Contribution to Journal/Magazine › Journal article › peer-review
Research output: Contribution to Journal/Magazine › Journal article › peer-review
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TY - JOUR
T1 - Jastrow correlation factor for atoms, molecules, and solids
AU - Drummond, Neil
AU - Towler, M. D.
AU - Needs, R. J.
N1 - © 2004 The American Physical Society
PY - 2004/12/17
Y1 - 2004/12/17
N2 - A form of Jastrow factor is introduced for use in quantum Monte Carlo simulations of finite and periodic systems. Test data are presented for atoms, molecules, and solids, including both all-electron and pseudopotential atoms. We demonstrate that our Jastrow factor is able to retrieve a large fraction of the correlation energy.
AB - A form of Jastrow factor is introduced for use in quantum Monte Carlo simulations of finite and periodic systems. Test data are presented for atoms, molecules, and solids, including both all-electron and pseudopotential atoms. We demonstrate that our Jastrow factor is able to retrieve a large fraction of the correlation energy.
U2 - 10.1103/PhysRevB.70.235119
DO - 10.1103/PhysRevB.70.235119
M3 - Journal article
VL - 70
JO - Physical review B
JF - Physical review B
SN - 1550-235X
IS - 23
M1 - 235119
ER -