The Bond Orbital Approximation for π-electron System in Benzene

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概要

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• The electronic energies of π-electron system in benzene molecule have been calculated by the bond orbital (BO) method for singlet states. Configuration interactions (CI) have not been taken into account. All the levels other than ^1B_<2u> and ^1E_<2g> calculated by the present method are higher than the levels calculated by the MO method without CI. In the MO method, however, the order of levels is changed and coincides with the observed order, by including CI. In the BO method the order of levels would not be changed by including CI, since the BO method without CI already gives the correct order.

• 社団法人日本物理学会の論文
• 1956-12-05

著者

• Aihara Eiko

  Department Of Physics Tokyo Institute Of Technology

• NIIRA Kazuo

  Department of Physics, Tokyo Institute of Technology

• Niira Kazuo

  Department Of Physics Tokyo Institute Of Technology

関連論文

• The Bond Orbital Approximation for π-electron System in Benzene
• The Effect of Hydrogen on the Band Structure of Naphthalene Crystals

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