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  1. A500 情報学部/情報学研究科・情報文化学部・情報科学研究科
  2. A500a 雑誌掲載論文
  3. 学術雑誌

Uniqueness of the solution of the contracted Schrödinger equation

http://hdl.handle.net/2237/8740
fba918a9-1518-4a97-8719-f3d1481b4b36
名前 / ファイル ライセンス アクション
PhysRevA65-52121.pdf PhysRevA65-52121.pdf (158.1 kB)
Item type 学術雑誌論文 / Journal Article(1)
公開日 2007-09-06
タイトル
タイトル Uniqueness of the solution of the contracted Schrödinger equation
著者 Yasuda, Koji

× Yasuda, Koji

WEKO 19055

Yasuda, Koji

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権利
権利情報 Copyright: American Physical Society, All rights reserved.
抄録
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.
内容記述タイプ Abstract
出版者
出版者 American Physical Society
言語
言語 eng
資源タイプ
資源タイプresource http://purl.org/coar/resource_type/c_6501
タイプ journal article
DOI
関連識別子
識別子タイプ DOI
関連識別子 http://dx.doi.org/10.1103/PhysRevA.65.052121
書誌情報 PHYSICAL REVIEW A

巻 65, 号 5, p. 52121-11, 発行日 2002-05-09
フォーマット
application/pdf
著者版フラグ
値 publisher
URI
識別子 http://hdl.handle.net/2237/8740
識別子タイプ HDL
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