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.

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

AMOVILLI, CLAUDIO;
2015-01-01

Abstract

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.
2015
Amovilli, Claudio; March, N. H.
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11568/754761
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