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The functional theory is a variational theory for describing the electronic structure of polycyclic aromatic compounds. It is based on the principles that electrons in these molecules are localized in orbitals, and that electrons in different orbitals interact with each other by a shift operator. The variational principle states that the electron density at any point in space can be found by minimizing the total energy of all electrons in the molecule subject to an appropriate boundary condition. This method has been applied to many types of polycyclic aromatic compounds, including benzene, dibenzothiophene, and dibenzofuran.
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Technical inquiry about: 3D-FAA67023 4-Methyl-1-benzofuran
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