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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 18, 1970 - Issue 3
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Original Articles

Self-consistent Hückel theory

G.L. Caldow Department of Theoretical Chemistry, The University, Bristol
Pages 383-392 | Received 11 Aug 1969, Published online: 23 Aug 2006
 
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Abstract

Systematic approximations to the Pople method lead to a form of Hückel theory which is self-consistent with respect to charges and bond orders. The method is applied to the calculation of ionization potentials, electron affinities and equilibrium bond lengths in conjugated molecules.

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