Ab initio Calculation of the Potential Curves for the Reaction O^<3+>+H→O^<2+>H^+ and the Related Diabatic Coupling Matrix Elements

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概要

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• Ab initio calculation with the configuration interaction method is used to obtain thepotential curves and the diabatic coupling matrix elements for the OH" system. Theconfiguration interaction method reproduce the experimental values of the excitationenergies in a good approximation. The radial coupling matrix elements related to thecharge transfer reaction have large values at the avoided crossing points and also in theregions of the smaller nuclear distances. The rotational coupling matrix elements havenearly constant values at larger nuclear distances but change abruptly their values atthe avoided crossing points.

• 社団法人日本物理学会の論文
• 1982-04-15

著者

• O-ohata Kiyosi

  College Of General Education Kyushu University

• YOSHIDA Junichi

  College of General Education,Kyushu University

• Yoshida Junichi

  College Of General Education Kyushu University

• O-ohata Kiyoshi

  College of General Education,Kyushu University

関連論文

• Collision for Li^++He System.I.Potential Curves and Non-Adiabatic Coupling Matrix Elements
• Ab initio Calculation of the Potential Curves for the Reaction O^+H→O^H^+ and the Related Diabatic Coupling Matrix Elements
• Charge Transfer Reaction of O^+H→O^+H^+ in Low Energy Collision

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