On the Electronic State of Macromolecules. II
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概要
- 論文の詳細を見る
A theory of electronic state of segmental system, that is the system consisting of many groups and overlapping of the electron wave functions between the groups being small, is developed. The Hartree-Fock orbital of the whole system is constructed as the superposition of the group orbitals. The effect of electron correlation is treated by the theory developed previously. A perturbation procedure in which the effect of overlapping of the electron wave function between the groups is treated as the small perturbation is developed. It is shown that the Frenkel exciton and charge transfer complex states are obtained in the zeroth approximation of this perturbation procedure. These states are decoupled in the zeroth approximation but become to couple in the higher approximation. An alternative and equivalent formulation by Green functions is introduced. The dielectric and optical responses of the segmental system are calculated in terms of the Green functions. In the zeroth approximation of the perturbation procedure, only the Frenkel exciton states contribute to these responses and they may be expressed in terms of the transition moments of the groups with the intragroup configuration interaction and the Green function of the Frenkel exciton. The ground state Hartree-Fock and correlation energies are calculated. It is shown that the effect of the polarization of the Hartree-Fock orbital of the group which is induced by the interaction with the other groups in the system leads to the dielectric screening of the Coulomb interaction between the groups in the Hartree-Fock ground state energy.
- 理論物理学刊行会の論文
- 1968-04-25
著者
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FUKUTOME Hideo
Department of Physics, Kyoto University
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Fukutome Hideo
Department Of Physics Faculty Of Science Kyoto University
関連論文
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