Explicit density–potential relation for 4‐electron atoms in 2‐orbital  S  states | Zendy

Hunter G. | Zendy; March N. H. | Zendy

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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.

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