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  1. 040 理学部
  2. 0401 学術論文

A Proposal of the Approximate Kinetic Energy Functional of the Pair Density Functional Theory

http://hdl.handle.net/10091/00020692
http://hdl.handle.net/10091/00020692
93500fd0-46fa-4084-aeb0-bd3483a8e964
名前 / ファイル ライセンス アクション
jpscp.3.017009.pdf jpscp.3.017009.pdf (582.0 kB)
Item type 学術雑誌論文 / Journal Article(1)
公開日 2018-06-25
タイトル
言語 en
タイトル A Proposal of the Approximate Kinetic Energy Functional of the Pair Density Functional Theory
言語
言語 eng
資源タイプ
資源 http://purl.org/coar/resource_type/c_6501
タイプ journal article
著者 Higuchi, Katsuhiko

× Higuchi, Katsuhiko

WEKO 105878

Higuchi, Katsuhiko

Search repository
Higuchi, Masahiko

× Higuchi, Masahiko

WEKO 105879

Higuchi, Masahiko

Search repository
信州大学研究者総覧へのリンク
氏名 Higuchi, Masahiko
URL http://soar-rd.shinshu-u.ac.jp/profile/ja.gVfUPeSe.html
出版者
出版者 PHYSICAL SOC JAPAN
引用
内容記述タイプ Other
内容記述 JPS Conference Proceedings. 3:017009 (2014)
書誌情報 JPS Conference Proceedings

巻 3, p. 017009, 発行日 2014
抄録
内容記述タイプ Abstract
内容記述 We propose the approximate kinetic energy (KE) functional of the pair density (PD) functional theory on the basis of the coupling-constant expression that is recently derived [Phys. Rev. A 85, 062508 (2012)]. The proposed KE functional, which is called the “correlated Gaussian model”, consists of the modified version of the Thomas-Fermi (TF) model and correlation energy functional of the local density approximation. We check the validity of the correlated Gaussian model by means of numerical calculations for the Ne atom. It is shown that the correlated Gaussian model gives better results of not only the KE, Hartree energy, exchange–correlation (xc) energy, potential energy but also the xc-hole than the previously proposed correlated TF model [J. Phys.: Conf. Ser. 454, 012056 (2013)].
資源タイプ(コンテンツの種類)
内容記述タイプ Other
内容記述 Article
書誌レコードID
識別子タイプ NCID
関連識別子 BB16229588
DOI
識別子タイプ DOI
関連識別子 https://doi.org/10.7566/JPSCP.3.017009
関連名称 10.7566/JPSCP.3.017009
権利
権利情報 © 2014 The Physical Society of Japan
出版タイプ
出版タイプ VoR
出版タイプResource http://purl.org/coar/version/c_970fb48d4fbd8a85
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