Cusp relation for the Pauli potential
H. Levämäki; Á. Nagy; K. Kokko; L. Vitos
Cusp relation for the Pauli potential
H. Levämäki
Á. Nagy
K. Kokko
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
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