Emploi de méthodes matricielles pour le
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G. Berthier; J. Baudet; M. Suard
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Article
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1963
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Elsevier Science
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French
⚖ 726 KB
Abstraet--A matrix formalism, which rationalizes use of atomic spectroscopic data in LCAO molecular orbitaltheory for conjugated systems, is described. SCF molecular orbitals are determined by a modified matrix density method applicable to closed shells and open shells systems. The method is particu