A1 Vertaisarvioitu alkuperäisartikkeli tieteellisessä lehdessä
Cusp relation for the Pauli potential
Tekijät: H. Levämäki, Á. Nagy, K. Kokko, L. Vitos
Kustantaja: AMER PHYSICAL SOC
Julkaisuvuosi: 2014
Journal: Physical Review A
Lehden akronyymi: PHYS REV A
Artikkelin numero: 062515
Vuosikerta: 90
Numero: 6
Sivujen määrä: 4
ISSN: 1050-2947
DOI: https://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.
Ladattava julkaisu This is an electronic reprint of the original article. |  |
