G. Xing et Gz. Wu, Classical coset Hamiltonian for the electronic motion and its application to Anderson localization and Hammett equation, CHIN PHYS L, 18(2), 2001, pp. 157-159
A classical coset Hamiltonian is introduced for the system of one electron
in multi-sites. By this Hamiltonian, the dynamical behaviour of the electro
nic motion can be readily simulated. The simulation reproduces the retardat
ion of the electron density decay in a lattice with site energies randomly
distributed - an analogy with Anderson localization. This algorithm is also
applied to reproduce the Hammett equation which relates the reaction rate
with the property of the substitutions in the organic chemical reactions. T
he advantages and shortcomings of this algorithm, as contrasted with tradit
ional quantum methods such as the molecular orbital theory, are also discus
sed.