Theoretical Calculation of Compton Profiles for Simple Ionic Crystals. I. LiH
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概要
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The isotropic and directional Compton profiles of crystalline LiH are success-fully calculated in the Heitler -London approximation. The calculation is carriedout by explicit use of those L5wdin's (symmetrically ortho-normalized) orbitalsthat are found b>' usins a kind of cluster ar>r>roximation. The comparison withPaakkari, Halonen and Aikala's calculation of LiH indicates that the presentsimple and honest approach is eventually more efficient than the ingenious onesoriginated by L6wdin, and further that the present approach will be applicablesuccessfully even to oxide compounds which have been beyond the reach of thelatter ones.
- 社団法人日本物理学会の論文
- 1981-03-15
著者
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Mizuno Yukio
Institute For Physics College Of General Education University Of Tokyo
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Seiji Ishikawa
Institute Of Physics College Of General Education University Of Tokyo
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KODAMA Akio
Institute of Physics,College of General Education,University of Tokyo
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Kodama Akio
Institute Of Physics College Of General Education University Of Tokyo
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