✦ LIBER ✦

A Formal relation between valence bond and molecular orbital theory

✍ Scribed by J.A.R. Coope

Publisher: Elsevier Science
Year: 1967
Tongue: English
Weight: 337 KB
Volume: 1
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(67)85025-5

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✦ Synopsis

The simple valence bond method is formulated in terms of fermion spin waves. For linear chains, rings containing 4n+2 atoms, and polyacenes, we obtain a close formal correspondence to mofecufar orbital theory of the Pariser-Parr-Popfe type. This correspondence however is not obtained for large condensed ring systems, rings containing 4n atoms, and non-alternants (molecules for which there is indeed relatively poor agreement between VB and MO ground state results).

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