On the Self-Consistent Potential of the Band Calculation
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- Asano Setsuro
- The Institute for Solid State Physics, The University of Tokyo
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- Yamashita Jiro
- The Institute for Solid State Physics, The University of Tokyo
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The self-consistent equation of the band calculation, which can be used for both metals and ionic crystals, is derived in the limit of the statistical exchange approximation and the muffin tin approximation. By G.F.M. the self-consistent calculations of energy bands for Cu and Al have been carried out and they are compared with the former results by self-consistent APW method. The excellent agreement is obtained. For vanadium metal the results by another self-consistent procedure, which was proposed by Wakoh, are compared with those by this Hartree-Fock-Slater self-consistent one. When the original Slater exchange is reduced about 0.8 times the two results coincide fairly well. Some practical remarks on the self-consistent band calculation are also given.
収録刊行物
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- Ｊｏｕｒｎａｌ ｏｆ ｔｈｅ Ｐｈｙｓｉｃａｌ Ｓｏｃｉｅｔｙ ｏｆ Ｊａｐａｎ
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Ｊｏｕｒｎａｌ ｏｆ ｔｈｅ Ｐｈｙｓｉｃａｌ Ｓｏｃｉｅｔｙ ｏｆ Ｊａｐａｎ 30 (3), 667-674, 1971
一般社団法人 日本物理学会
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詳細情報 詳細情報について
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- CRID
- 1390282679172335360
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- NII論文ID
- 110001953294
- 130003893017
- 210000082448
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- NII書誌ID
- AA00704814
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- BIBCODE
- 1971JPSJ...30..667A
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- COI
- 1:CAS:528:DyaE3MXhtFOisLw%3D
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- ISSN
- 13474073
- 00319015
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- NDL書誌ID
- 8502735
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- 本文言語コード
- en
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- データソース種別
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- JaLC
- NDL
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- 使用不可