Correlation effects in the total energy, the bulk modulus, and the lattice constant of a transition metal: Combined local-density approximation and dynamical mean-field theory applied to Ni and Mn

著录项

• 来源
  《Physical review》 |2009年第11期|198-211|共14页
• 作者

  I. Di Marco; J. Minar; S. Chadov; M. I. Katsnelson; H. Ebert; A. I. Lichtenstein;

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• 作者单位

  Institute for Molecules and Materials, Radboud University of Nijmegen, NL-6525 ED Nijmegen, The Netherlands;

  Department Chemie und Biochemie, Physikalische Chemie, Ludwig-Maximilians Universitaet Muenchen, D-81377 Muenchen, Germany;

  Department Chemie und Biochemie, Physikalische Chemie, Ludwig-Maximilians Universitaet Muenchen, D-81377 Muenchen, Germany Institut fuer Anorganische und Analytische Chemie, Johannes-Gutenberg Universitaet Mainz, 55128 Mainz, Germany;

  Institute for Molecules and Materials, Radboud University of Nijmegen, NL-6525 ED Nijmegen, The Netherlands;

  Department Chemie und Biochemie, Physikalische Chemie, Ludwig-Maximilians Universitaet Muenchen, D-81377 Muenchen, Germany;

  Institute of Theoretical Physics, University of Hamburg, 20355 Hamburg, Germany;

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• 收录信息
• 原文格式 PDF
• 正文语种 eng
• 中图分类
• 关键词

  total energy and cohesive energy calculations; transition metals and alloys; strongly correlated electron systems; heavy fermions;

  机译：总能量和内聚能计算;过渡金属和合金;强相关电子系统;重费米子;