Nonlocal Exchange-Correlation Potential for Inhomogeneous Electron Gas and Quantum Fluids
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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V. U. Nazarov,1,2 I. V. Tokatly,3,4 S. Pittalis,5 and G. Vignale5 1Research Center for Applied Sciences, Academia Sinica, Taipei 115, Taiwan 2Department of Physical Chemistry, Far-Eastern National Technical University, Vladivostok, Russia 3Nano-Bio Spectroscopy group and ETSF Scientific Development Centre, Departamento de Física de Materiales, Centro de Física de Materiales CSIC-UPV/EHU-MPC, Un...
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We consider variational (density functional) models of fluids confined in parallelplate geometries (with walls situated in the planes z = 0 and z = L respectively) and focus on the structure of the pair correlation function G(r1, r2). We show that for local variational models there exist two non-trivial identities relating both the transverse Fourier transform G(zμ, zν ; q) and the zeroth momen...
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The density matrix quantum Monte Carlo (DMQMC) method is used to sample exact-on-average N-body density matrices for uniform electron gas systems of up to 10^{124} matrix elements via a stochastic solution of the Bloch equation. The results of these calculations resolve a current debate over the accuracy of the data used to parametrize finite-temperature density functionals. Exchange-correlatio...
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ژورنال
عنوان ژورنال: Progress of Theoretical Physics
سال: 1978
ISSN: 0033-068X,1347-4081
DOI: 10.1143/ptp.59.1085