Cusp relation for the Pauli potential




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

PublisherAMER PHYSICAL SOC

2014

 Physical Review A

PHYS REV A

062515

90

6

4

1050-2947

DOIhttps://doi.org/10.1103/PhysRevA.90.062515



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.



Last updated on 26/11/2024 03:24:17 PM