4.4 Article

A new look at Thomas-Fermi theory

期刊

MOLECULAR PHYSICS
卷 114, 期 7-8, 页码 1036-1040

出版社

TAYLOR & FRANCIS LTD
DOI: 10.1080/00268976.2015.1130273

关键词

Thomas-Fermi theory; atomic radii; Born-Oppenheimer curves; Hartree-Fock theory; ionisation conjecture

资金

  1. European Research Council under ERC [321029]
  2. Villum Fonden [00010059] Funding Source: researchfish

向作者/读者索取更多资源

In this short note, we argue that Thomas-Fermi theory, the simplest of all density functional theories, although failing to explain features such as molecular binding or stability of negative ions, is surprisingly accurate in estimating sizes of atoms. We give both numerical, experimental and rigorous mathematical evidence for this claim. Motivated by this, we formulate two new mathematical conjectures on the exactness of Thomas-Fermi theory. [GRAPHICS] .

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