| Original Articles |
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Classical Coset Hamiltonian for the Electronic Motion and its
Application to Anderson Localization and Hammett Equation
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| XING Guan;WU Guo-Zhen |
| Molecular and Nano Sciences Laboratory of Educational
Ministry, Department of Physics, Tsinghua University, Beijing 100084
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| Cite this article: |
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XING Guan, WU Guo-Zhen 2001 Chin. Phys. Lett. 18 157-159 |
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Abstract A classical coset Hamiltonian is introduced for the system of one electron in multi-sites. By this Hamiltonian, the dynamical behaviour of the electronic motion can be readily simulated. The simulation reproduces the retardation 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. The advantages and shortcomings of this algorithm, as contrasted with traditional quantum methods such as the molecular orbital theory, are also discussed.
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| Keywords:
02.20.Sv
72.10.-d
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Published: 01 February 2001
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| PACS: |
02.20.Sv
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(Lie algebras of Lie groups)
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72.10.-d
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(Theory of electronic transport; scattering mechanisms)
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