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  • 1
    ISSN: 1432-2234
    Keywords: Valence-bond model ; π-Networks ; Heisenberg model ; Resonance theory ; Néel states ; Renormalization group ; Spin waves
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Approximate ground-state wavefunctions for valence-bond (or Heisenberg) models are obtained both within Néel-state-based and within Kekulé-state-based resonance-theoretic approaches. Comparisons are made between these and other general approaches, with particular emphasis on organic π-network systems. Attention is drawn to the manner in which the quality of the different approximation schemes changes with variations in structural characteristics of the system. It is suggested that resonance-theoretic ideas are most appropriate for (aromatic benzenoid) systems with low coordination number, whereas Néel-state based ideas are most appropriate for (3-dimensional) structures with higher coordination number (and little “frustration”).
    Type of Medium: Electronic Resource
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