Electronic Structures of the U_2-Center in KCl and KBr : II -The Effect of the Configuration Mixing-

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概要

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• A formula for calculating the spin density of the U_2-center has been obtained by considering the mixing of the configuration having H^- and a hole in the host crystal and the effect of the orthogonalization of the core orbitals between neighboring ions. For the numerical calculation of the g-shifts and hyperfine structure constants of the U_2-center, the problem is reduced to the one-hole picture in which the ground state wave function is expressed by an LCAO molecular orbital. It is pointed out that the effect of the configuration mixing plays an important role in producing the smaller hyperfine splitting due to proton in the U_2-center than that in the free hydrogen atom, However, the g-shifts and the superhyperfine constants are overestimated by this effect; the effect of the orthogonalization of the core orbitals on these quantities is discussed.

• 社団法人日本物理学会の論文
• 1966-11-05

著者

• CHO K.

  Department of Obstetrics and Gynecology, Hokkaido University School of Medicine

• Cho Kikuo

  Department Of Material Physics Faculty Of Engineering Science Osaka University

• Uemura Yasutada

  Department Of Dynamics Faculty Of Engineering Tokyo University

• Cho Kikuo

  Department Of Physics University Of Tokyo

• Kamimura Hiroshi

  Department Of Applied Physics . Faculty Of Science Tokyo University Of Science

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