Effects of Semicore Electrons on the Structure of Liquid Rubidium : an ab initio Molecular-Dynamics Simulation

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概要

• 論文の詳細を見る

• The effects of setnicore electrons on the strtzctural and electronic properties of liquid rtrbidivxxnare studied by an ab initio unolecular-dyzaatnics siraatulation based on the density functional tlaeor'yin the local-density approxirnation and on the ttltrtrsoft pseudopotential. It is shown that therepulsive interaction between Tons dvte to tlae overlap of tl?e wavefttnctions of the senaicore 4pelectrons plays an irnportant role in the strtrctvnre of liqtrid rtrlcidium as well as in tlae electronicdensity of states vxnder high presstrres.

• 社団法人日本物理学会の論文
• 1998-10-15

著者

• Kozo Hoshino

  Graduate School Of Integrated Arts And Sciences Hiroshima University

• Hoshino K

  Hiroshima Univ. Higashi‐hiroshima Jpn

• Hoshino Kozo

  Faculty Of Integrated Arts And Sciences Hiroshima University

• Shimojo Fuyuki

  Faculty of Integrated Arts and Sciences, Hiroshima University

• Shimojo Fuyuki

  Department Of Physics Faculty Of Science Kumamoto University

• Shimojo F

  Hiroshima Univ. Higashi‐hiroshima Jpn

• Shimojo Fuyuki

  Graduate School Of Science And Technology Kumamoto University

• Hoshino Kozo

  Faculty Of Engineering Niigata University

• Hoshino K

  Japan Atomic Energy Res. Inst. Ibaraki Jpn

• ZEMPO Y.

  Sumitomo Chemical

• Zempo Yasunari

  Sumitomo Chemical

• Kawashima H

  Japan Atomic Energy Res. Inst. Ibaraki Jpn

• Shimojo Fuyuki

  Faculty Of Entegrated Arts And Sciences Hiroshima University

• 下條 冬樹

  Kumamoto Univ. Kumamoto

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