Tight-binding 'dihedral orbitals' approach to electronic communicability in macromolecular chains

The thermal Green's function of a linear (macromolecular) chain is defined using a tight-binding approach. We use orbitals centered on dihedral angles to build molecular orbitals. This Green's function represents the electronic communicability between dihedral angles of the macromolecular chain. It is useful in differentiating protein molecules of different types of conformation and secondary structure.