Premium
The exact form of the Pauli potential for the ground state of two‐ and three‐level atoms and ions
Author(s) -
Nagy A.,
March N. H.
Publication year - 1991
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560390408
Subject(s) - pauli exclusion principle , ground state , ion , kinetic energy , atomic physics , virial theorem , physics , square root , chemistry , quantum mechanics , mathematics , geometry , galaxy
The square root of the electron density satisfies a Schrödinger equation having a correction term, called the Pauli potential, in addition to the Kohn–Sham potential. The Pauli potential is given in exact form for the ground state of two‐ and three‐level atoms and ions (e.g., Be and C). Expressions for the kinetic energy and the one‐body virial are also derived.