Accuracy of electronic wave functions in quantum Monte Carlo: The Effect of high-order correlations

Chien-Jung Huang; Umrigar, C.J.; Nightingale, M.P.
August 1997
Journal of Chemical Physics;8/22/1997, Vol. 107 Issue 8, p3007
Academic Journal
Discusses how compact and accurate wave functions can be constructed by quantum Monte Carlo methods. Importance of including high-order, nucleus-three-electron correlations in the Jastrow factor; Computation of high-body correlations; Improvements in the variational Monte Carlo energy; Ground states of physical, fermionic atoms.


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