Exact Solutions of the Secular Equations in the HMO Treatment for Chain Molecules of Finite Length

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概要

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• A simple, general method is presented for solving the secular equations which may be expected in the LCAO HMO calculation on chain molecules of finite length and of repeated arrangement of a finite group of atoms. The validity of the method is confirmed by showing that the solutions in the case of polyens agree completely with those of Lennard-Jones. Additional real solutions which correspond to the so-called surface states are also derived from the first principle. Applications of the present method to the more general cases where secular determinants have a few irregular elements as well as regular ones are briefiy explained.

• 社団法人日本物理学会の論文
• 1963-07-05

著者

• YOMOSA Shigeo

  Department of Physics,Nagoya University

• Suzuki Hideo

  Physical Institute Nagoya University

• TANIKAWA Yoshiaki

  Physical Institute, Nagoya University

• Tanikawa Yoshiaki

  Physical Institute Nagoya University

• YOMOSA Shigeo

  Department of Physics, Medical University of Nara

• Tanikawa Y.

  Physical Institute, Nagoya University

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