Cusp relation for the Pauli potential
K. Kokko; H. Levämäki; Á. Nagy; L. Vitos
Cusp relation for the Pauli potential
K. Kokko
H. Levämäki
Á. Nagy
L. Vitos
AMER PHYSICAL SOC
Julkaisun pysyvä osoite on:
https://urn.fi/URN:NBN:fi-fe2021042715033
https://urn.fi/URN:NBN:fi-fe2021042715033
Tiivistelmä
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.
Kokoelmat
- Rinnakkaistallenteet [19207]