Quantum Monte Carlo Investigation of Exchange and Correlation in Silicon
نویسندگان
چکیده
منابع مشابه
Quantum Monte Carlo analysis of exchange and correlation in the strongly inhomogeneous electron gas.
We use the variational quantum Monte Carlo method to calculate the density-functional exchange-correlation hole n(xc), the exchange-correlation energy density e(xc), and the total exchange-correlation energy E(xc) of several strongly inhomogeneous electron gas systems. We compare our results with the local density approximation and the generalized gradient approximation. It is found that the no...
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Raymond C. Clay, III,1,* Jeremy Mcminis,2 Jeffrey M. McMahon,1 Carlo Pierleoni,3 David M. Ceperley,1 and Miguel A. Morales2 1Department of Physics, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801, USA 2Lawrence Livermore National Laboratory, Livermore, California 94550, USA 3Department of Physical and Chemical Sciences, University of L’Aquila and CNISM UdR L’Aquila, Via Vetoi...
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ژورنال
عنوان ژورنال: Physical Review Letters
سال: 1997
ISSN: 0031-9007,1079-7114
DOI: 10.1103/physrevlett.78.3350