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

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.

Keywords:

• inhomogeneous electron liquids
• Pauli potential
• Be atom

Acknowledgements

NHM wishes to acknowledge that his contribution to this work was carried out mainly during a visit to the University of Pisa. Professors D. Lamoen and C. Van Alsenoy are thanked for making possible the continuing affiliation of NHM with the University of Antwerp (B).