Interaction between Electrons in Two-Dimensional Free-Electron Model for Conjugated Systems

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概要

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• An atttempt is made to include the effects of electron-electron interactions into the two-dimensional free-electron model of Platt for conjugated systems. The method is explained in the case of the naphthalene molecule as a simple example. The excitation energies of the first four singlets are calculated. The agreement between theory and experiment is moderate. The method may be applied to larger systems with reasonable amount of labor, to which the applications of the usual theories based on atomic orbitals may not be feasible.

• 理論物理学刊行会の論文

著者

• Huzinaga Sigeru

  Department Of Industrial Chemistry Kyoto University

• Huzinaga Sigeru

  Department Of Chemistry University Of Alberta Edmonton

• Huzinaga Sigeru

  Department of Industrial Chemistry, Kyoto University

関連論文

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• One-Center Expansion of Molecular Wave Function
• A General SCF Formalism
• Interaction between Electrons in Two-Dimensional Free-Electron Model for Conjugated Systems

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