Exploring the random phase approximation: Application to CO adsorbed on Cu(111)

著录项

• 来源
  《Physical review》 |2009年第4期|045402.1-045402.8|共8页
• 作者

  Xinguo Ren; Patrick Rinke; Matthias Scheffler;

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• 作者单位

  Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, D-14195 Berlin, Germany;

  Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, D-14195 Berlin, Germany Materials Department, University of California, Santa Barbara, California 93106, USA;

  Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, D-14195 Berlin, Germany Materials Department, University of California, Santa Barbara, California 93106, USA Department of Chemistry and Biochemistry, University of California, Santa Barbara, California 93106, USA;

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• 原文格式 PDF
• 正文语种 eng
• 中图分类
• 关键词

  ab initio calculations of adsorbate structure and reactions; density functional theory, local density approximation, gradient and other corrections; metallic surfaces;

  机译：从头计算吸附物的结构和反应;密度泛函理论;局部密度近似;梯度和其他校正;金属表面;