A New Set of One-Electron Orbitals for O^<2-> in MgO

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概要

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• The present approach to the above problem is essentially identical with Watson's,except that his simple crystalline potential is replaced by a complicated one in orderthat the effect of the six surrounding Mg" ions might be taken into account morefaithfully. The "2p" orbitals of 0' are assumed to have a mixed character between"p" and "f" not as usual, while both "Is" and "2s" to have the pure "s" characteras usual. The obtained "2p" orbitals differ very much in shape from existing ones. Itis confirmed that the use of the new set of orbitals leads to fine description of Mg0that is almost free from the difficulty pointed first by Aikala et al.

• 社団法人日本物理学会の論文
• 1988-12-15

著者

• FUJII Shinpei

  Department of Physics, Faculty of Science, Kagoshima University

• Fujii Shinpei

  Department Of Physics Faculty Of Science Kagoshima University

• KOBAYASHI Yukiko

  Institute of Physics,College of Arts and Sciences,University of Tokyo

• MIZUNO Yukio

  Institute of Physics,College of Arts and Sciences,University of Tokyo

• Kobayashi Yukiko

  Institute Of Physics College Of Arts And Sciences University Of Tokyo

• Mizuno Yukio

  Institute Of Physics College Of General Education University Of Tokyo

• MIZUNO Yukio

  Insititute of Physics, College of Arts and Sciences University of Tokyo

• Mizuno Yukio

  Institute For Physics College Of General Education University Of Tokyo

• Kobayashi Yukio

  Institute Of Physics College Of Arts And Science University Of Tokyo

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