3.9 Article

Bosonised DFT potential estimated from QMC calculations of the ground-state density for the inhomogeneous electron liquid in Be

期刊

PHYSICS AND CHEMISTRY OF LIQUIDS
卷 53, 期 6, 页码 679-684

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TAYLOR & FRANCIS LTD
DOI: 10.1080/00319104.2015.1020806

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inhomogeneous electron liquids; Pauli potential; Be atom

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To avoid the solution of numerous Kohn-Sham one-body potential equations for wave functions in density functional theory, various groups independently proposed the use of Pauli potential to bosonise the customary one-body potential theory. Here, we utilise our recent quantum Monte Carlo calculations of the ground-state electron density of the Be atom to estimate the bosonised one-body potential V-B(r) and hence extract the Pauli potential for this atom.

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