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Explicit density–potential relation for 4‐electron atoms in 2‐orbital S states
Author(s) -
Hunter G.,
March N. H.
Publication year - 1989
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.560350506
Subject(s) - electron , atomic orbital , atomic physics , physics , context (archaeology) , atom (system on chip) , ground state , relation (database) , electron density , quantum mechanics , paleontology , computer science , biology , embedded system , database
An explicit relation is derived between the one‐body potential energy and the electron density for the ground state of the Be atom in a nonrelativistic framework. This same relation applies to any four‐electron atomic ion (or to Be itself) in a state where the electrons occupy two doubly filled orbitals. The relation is interpreted as an exact Hartree‐like model of the Hohenberg–Kohn theorem within the general context of N electrons and a potential that is not necessarily spherically symmetrical.