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お茶の水女子大學自然科學報告 >
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http://hdl.handle.net/10083/2224
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| KJ00004829831.pdf | | 415Kb | Adobe PDF | View/Open |
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| Title | : | Combined Use of the Cusp Condition and the One-Electron Density Condition in the Construction of Correlated Wave Functions of Atoms and Molecules |
| Authors | : | Itoh, Takashi |
| Issue Date | : | Dec-1975 |
| Abstract | : | It is known that the exact wave function of an atom or a molecule should have a cusp at γ_<jk>=0. On the other hand, it is known that the one-electron density associated with the Hartree-Fock wave function is, in general, close to the true density. In the present paper, it is suggested that the above two points should be taken into account in constructing an approximate wave function of an atom or a molecule. |
| Type Local | : | 紀要論文 |
| URI | : | http://hdl.handle.net/10083/2224 |
| Format | : | application/pdf |
| ncid | : | AN00033958 |
| Publisher | : | お茶の水女子大学 |
| | : | 425635 bytes |
| Citation | : | お茶の水女子大學自然科學報告 Vol.26 no.2 p.73 -79 |
| Appears in Collections | : | お茶の水女子大學自然科學報告
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