Abstract

A standard Monte Carlo procedure, known as simulated annealing, and a simple and very popular all-valence electron quantum chemical Hamiltonian, namely the extended Hückel Hamiltonian, have been combined. To test this combination of two very simple procedures, we study systems containing a small number of carbon atoms. The test is thought to be of particular interest because of the nature of the carbon atom which can yield a number of different bonds.

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