Valence Bond Theory of Quantum Cell Models

Valence Bond Theory of Quantum Cell Models 

Ramasesha1 and Z.G. Soos2 1 Solid State and Structural Chemistry Unit, 

Indian Institute of Science, Bangalore 560 012, India 2Department of Chemistry, 

Neutral - ionic transition in organic charge - transfer salts 

Coulomb interactions dominate the electronic structure of molecules. The total spin S2 and Sz are nearly conserved for light atoms. We will consider spin-independent interactions in models with one orbital per site. In the context of tt electrons, the operators a+a and OpCT create and annihilate, respectively, an electron with spin a in orbital p. The Hiickel Hamiltonian is 

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S. Ramasesha, Z. G. Soos, in Valence Bond Theory, D. L. Cooper, Ed., Elsevier, Amsterdam, The Netherlands, 2002, pp. 635-697. Valence Bond Theory of Quantum Cell Models. 

Amsterdam, The Netherlands, 2002, pp. 635-697. Valence Bond Theory of Quantum Cell Models. 

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