An orthogonality constrained generalization of the Weizsacker density functional model
- 15 March 1983
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 78 (6) , 4048-4051
- https://doi.org/10.1063/1.445131
Abstract
An exact density functional theory for two orbital systems (such as Hartree–Fock beryllium) is extended to give a density functional model for first‐row atoms. The new model is related to the Weizsacker model but it includes additional terms which arise from orthogonality constraints. Two approximate methods based on this model are tested numerically.Keywords
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