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- Harrison Shull
- Department of Chemistry and Institute for Atomic Research, Iowa State College, Ames, Iowa
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- Per-Olov Löwdin
- Quantum Chemistry Group, Uppsala University, Kemikum, Uppsala, Sweden
書誌事項
- 公開日
- 1956-11-01
- DOI
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- 10.1063/1.1743093
- 公開者
- AIP Publishing
この論文をさがす
説明
<jats:p>The correlation effects in the ground state of the He-like ions are investigated by using the idea that the two electrons may occupy different orbitals in space. By using a scale factor η and a splitting parameter v, a radial function [open phi][r] is split into two different orbitals, [open phi][η(1+v)r] and [open phi][η(1—v)r], following Hylleraas [E. A. Hylleraas, Z. Physik 54, 347 (1929)], and Eckart [C. Eckart, Phys. Rev. 36, 878 (1930)]. It is shown that by using orbitals obtained by splitting a simple exponential function, a surprisingly large amount of the radial correlation energy may be taken into account, whereas an attempt to split the atomic self-consistent field function for He led to a negative result. The lowest triplet state is also treated by using the same approach.</jats:p>
収録刊行物
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- The Journal of Chemical Physics
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The Journal of Chemical Physics 25 (5), 1035-1040, 1956-11-01
AIP Publishing
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詳細情報 詳細情報について
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- CRID
- 1360862723065448704
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- NII論文ID
- 30015711998
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- ISSN
- 10897690
- 00219606
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- データソース種別
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