An extended Heisenberg model for conjugated hydrocarbons
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The Heisenberg model was extended by including next-nearest-neighbor transpositions and six-cyclic permutations. By using the extended method, it was possible to predict the lower energy states of styrene and naphthalene. In particular, the model performed quite satisfactorily for both, with most low-lying covalent states of the two molecules positioned within about 0.2t of their correct location.