A1 Refereed original research article in a scientific journal

Cusp relation for the Pauli potential



Authors: H. Levämäki, Á. Nagy, K. Kokko, L. Vitos

Publisher: AMER PHYSICAL SOC

Publication year: 2014

Journal: Physical Review A

Journal acronym: PHYS REV A

Article number: 062515

Volume: 90

Issue: 6

Number of pages: 4

ISSN: 1050-2947

DOI: https://doi.org/10.1103/PhysRevA.90.062515


Abstract

In orbital-free density functional theory, only a Schrödinger-like equation has to be solved for the square root of the electron density. In this equation, however, there is an extra potential in addition to the Kohn-Sham potential, the so-called Pauli potential. Cusp relations are now presented for this Pauli potential for spherically symmetric systems.



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Last updated on 2024-26-11 at 15:24