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On the restricted Hartree-Fock description of oligomer chains with expected metallic character

descriptionPublicationkeyboard_double_arrow_right Article 01 Oct 1988 Belgium Publisher:Elsevier BVJournal:Journal of Molecular Structure: THEOCHEM, volume 179, pages 393-406 (issn: 0166-1280,

Authors: Lucjan Piela; Joseph G. Fripiat; Jean-Louis Calais; G. Hennico; Joseph Delhalle; Jean-Marie André;

doi: 10.1016/0166-1280(88)80136-2

On the restricted Hartree-Fock description of oligomer chains with expected metallic character

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Abstract

Abstract Restricted Hartree-Fock calculations for uniform linear and cyclic chains of hydrogen atoms with an increasing number of atoms are used to illustrate the behaviour of finite systems under Hartree-Fock type constraints. That behaviour is reminiscent of the pathological behaviour of the corresponding infinite system and the driving forces are intimately related.

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