Uniform electron gases

被引：0
作者：
Peter M. W. Gill
Pierre-François Loos
机构：
[1] Australian National University,Research School of Chemistry
来源：
Theoretical Chemistry Accounts | 2012年 / 131卷
关键词：
Uniform electron gas; Homogeneous electron gas; Jellium; Density functional theory;
D O I：
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摘要：
We show that the traditional concept of the uniform electron gas (UEG)—a homogeneous system of finite density, consisting of an infinite number of electrons in an infinite volume—is inadequate to model the UEGs that arise in finite systems. We argue that, in general, a UEG is characterized by at least two parameters, viz. the usual one-electron density parameter ρ and a new two-electron parameter η. We outline a systematic strategy to determine a new density functional E (ρ, η) across the spectrum of possible ρ and η values.
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  • [31] Martin RM(2000)undefined J Chem Phys 112 7374-undefined
  • [32] Ortiz G(2002)undefined J Phys Chem A 106 11923-undefined
  • [33] Ballone P(2004)undefined J Am Chem Soc 126 4007-undefined
  • [34] Rapisarda F(2006)undefined Org Lett 8 3631-undefined
  • [35] Senatore G(2008)undefined Science 321 792-undefined
  • [36] Kwon Y(2009)undefined Phys Chem Chem Phys 11 1138-undefined
  • [37] Ceperley DM(2003)undefined Theor Chem Acc 109 241-undefined
  • [38] Martin RM(2006)undefined Phys Chem Chem Phys 8 15-undefined
  • [39] Ortiz G(2011)undefined Annu Rep Prog Chem Sect C 107 229-undefined
  • [40] Harris M(2007)undefined Phys Chem Chem Phys 9 5340-undefined
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