Literature DB >> 16087868

Nearsightedness of electronic matter.

E Prodan1, W Kohn.   

Abstract

In an earlier paper, W. Kohn had qualitatively introduced the concept of "nearsightedness" of electrons in many-atom systems. It can be viewed as underlying such important ideas as Pauling's "chemical bond," "transferability," and Yang's computational principle of "divide and conquer." It describes the fact that, for fixed chemical potential, local electronic properties, such as the density n(r), depend significantly on the effective external potential only at nearby points. Changes of that potential, no matter how large, beyond a distance R have limited effects on local electronic properties, which rapidly tend to zero as a function of R. In the present paper, the concept is first sharpened for representative models of uncharged fermions moving in external potentials, and then the effects of electron-electron interactions and of perturbing external charges are discussed.

Year:  2005        PMID: 16087868      PMCID: PMC1188007          DOI: 10.1073/pnas.0505436102

Source DB:  PubMed          Journal:  Proc Natl Acad Sci U S A        ISSN: 0027-8424            Impact factor:   11.205


  4 in total

1.  Density functional and density matrix method scaling linearly with the number of atoms.

Authors: 
Journal:  Phys Rev Lett       Date:  1996-04-22       Impact factor: 9.161

2.  Exponential decay properties of Wannier functions and related quantities.

Authors:  L He; D Vanderbilt
Journal:  Phys Rev Lett       Date:  2001-06-04       Impact factor: 9.161

3.  Direct calculation of electron density in density-functional theory.

Authors: 
Journal:  Phys Rev Lett       Date:  1991-03-18       Impact factor: 9.161

4.  Locality principle in wave mechanics.

Authors:  W Kohn; A Yaniv
Journal:  Proc Natl Acad Sci U S A       Date:  1978-11       Impact factor: 11.205

  4 in total
  22 in total

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5.  Chemical transferability of functional groups follows from the nearsightedness of electronic matter.

Authors:  Stijn Fias; Farnaz Heidar-Zadeh; Paul Geerlings; Paul W Ayers
Journal:  Proc Natl Acad Sci U S A       Date:  2017-10-16       Impact factor: 11.205

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Authors:  Bing Huang; O Anatole von Lilienfeld
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Journal:  PLoS Comput Biol       Date:  2011-07-14       Impact factor: 4.475

10.  Polarized Protein-Specific Charges from Atoms-in-Molecule Electron Density Partitioning.

Authors:  Louis P Lee; Daniel J Cole; Chris-Kriton Skylaris; William L Jorgensen; Mike C Payne
Journal:  J Chem Theory Comput       Date:  2013-06-11       Impact factor: 6.006

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