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Uniqueness of the solution of the contracted Schrödinger equation
http://hdl.handle.net/2237/8740
http://hdl.handle.net/2237/8740fba918a9-1518-4a97-8719-f3d1481b4b36
名前 / ファイル | ライセンス | アクション |
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PhysRevA65-52121.pdf (158.1 kB)
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Item type | 学術雑誌論文 / Journal Article(1) | |||||
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公開日 | 2007-09-06 | |||||
タイトル | ||||||
タイトル | Uniqueness of the solution of the contracted Schrödinger equation | |||||
言語 | en | |||||
著者 |
Yasuda, Koji
× Yasuda, Koji |
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アクセス権 | ||||||
アクセス権 | open access | |||||
アクセス権URI | http://purl.org/coar/access_right/c_abf2 | |||||
権利 | ||||||
言語 | en | |||||
権利情報 | Copyright: American Physical Society, All rights reserved. | |||||
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内容記述タイプ | Abstract | |||||
内容記述 | In this paper two fundamental questions in the contracted Schrödinger equation (CSE) approach are considered by using Lipkin’s quasispin model: 1-1 mapping between the second-order reduced density matrix (2-RDM) and the wave function of an excited state, and the uniqueness of the solution of CSE under incomplete N-representability conditions. We present some examples of the wave functions that give the same 2-RDM as the excited state. Thus 2-RDM of an excited state does not determine the wave function uniquely, and it alone cannot be used as basic variable for excited states of the density-matrix theory. Under the incomplete representability constraints the solution of the second-order CSE contains all the exact 4-RDMs together with the spurious ones. We examined the distribution of the solutions as a function of energy, and found that the solutions are well separated from each other under the P- and G-representability conditions of 4-RDM in the low-energy region, but with moderate interaction, or in the higher-energy region, there exist spurious solutions for almost all energies. Thus the G condition of 4-RDM is not sufficient to solve the excited states, although it gives accurate results for the ground state of Lipkin’s model. | |||||
言語 | en | |||||
出版者 | ||||||
出版者 | American Physical Society | |||||
言語 | en | |||||
言語 | ||||||
言語 | eng | |||||
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資源タイプ識別子 | http://purl.org/coar/resource_type/c_6501 | |||||
資源タイプ | journal article | |||||
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出版タイプ | VoR | |||||
出版タイプResource | http://purl.org/coar/version/c_970fb48d4fbd8a85 | |||||
DOI | ||||||
関連タイプ | isVersionOf | |||||
識別子タイプ | DOI | |||||
関連識別子 | https://doi.org/10.1103/PhysRevA.65.052121 | |||||
書誌情報 |
en : PHYSICAL REVIEW A 巻 65, 号 5, p. 52121-11, 発行日 2002-05-09 |
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値 | application/pdf | |||||
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値 | publisher | |||||
URI | ||||||
識別子 | http://hdl.handle.net/2237/8740 | |||||
識別子タイプ | HDL |