Multiple Scattering Calculation of the Electronic Structure of H+2
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- Watari Kazunori
- Instituto de Física, Universidade de São Paulo
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- Isotani S.
- Instituto de Física, Universidade de São Paulo
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- Freitas L. C. de
- Instituto de Física, Universidade de São Paulo
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- Leite J. R.
- Instituto de Física, Universidade de São Paulo
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- Siqueira M. L. de
- Departmento de F\~{i}sica, ICEx, Universidade Federal de Minas Gerais
書誌事項
- タイトル別名
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- Multiple Scattering Calculation of the Electronic Structure of H<SUB>2</SUB><SUP>+</SUP>
- Multiple Scattering Calculation of the
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抄録
Internuclear equilibrium distance Re, dissociation energy De and stretching force constant k are obtained for the H2+ molecule by the self-consistent statistical exchange multiple scattering method. It has been shown that the usual parametrization of the muffin-tin constant potential is not a suitable procedure for the simultaneous evaluation of Re, De and k. An empirical modification in the standard muffin-tin potential is proposed that leads to calculated values of Re, De and k in agreement with experiment within 5%.
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 47 (3), 929-934, 1979
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
- 1390001204182887936
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- NII論文ID
- 110001975634
- 130003896109
- 210000088367
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- NII書誌ID
- AA00704814
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- BIBCODE
- 1979JPSJ...47..929W
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- COI
- 1:CAS:528:DyaE1MXmtFOit78%3D
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- ISSN
- 13474073
- 00319015
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- NDL書誌ID
- 2062076
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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
- Crossref
- CiNii Articles
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- 抄録ライセンスフラグ
- 使用不可