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Calculation of polarization using a density functional method with localized charge

Publication ,  Journal Article
Boyer, LL; Stokes, HT; Mehl, MJ
Published in: Physical Review Letters
January 24, 2000

A density functional method, which represents the total charge density as a sum of self-consistently determined localized densities, is described. While this approach is generally less accurate than conventional band-structure methods, it offers a relatively simple interpretation of polarization and related properties. The method is illustrated with results for NaCl, MgO, and AlP. © 2000 The American Physical Society.

Duke Scholars

Published In

Physical Review Letters

DOI

EISSN

1079-7114

ISSN

0031-9007

Publication Date

January 24, 2000

Volume

84

Issue

4

Start / End Page

709 / 712

Related Subject Headings

  • General Physics
  • 51 Physical sciences
  • 49 Mathematical sciences
  • 40 Engineering
  • 09 Engineering
  • 02 Physical Sciences
  • 01 Mathematical Sciences
 

Citation

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MLA
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Boyer, L. L., Stokes, H. T., & Mehl, M. J. (2000). Calculation of polarization using a density functional method with localized charge. Physical Review Letters, 84(4), 709–712. https://doi.org/10.1103/PhysRevLett.84.709
Boyer, L. L., H. T. Stokes, and M. J. Mehl. “Calculation of polarization using a density functional method with localized charge.” Physical Review Letters 84, no. 4 (January 24, 2000): 709–12. https://doi.org/10.1103/PhysRevLett.84.709.
Boyer LL, Stokes HT, Mehl MJ. Calculation of polarization using a density functional method with localized charge. Physical Review Letters. 2000 Jan 24;84(4):709–12.
Boyer, L. L., et al. “Calculation of polarization using a density functional method with localized charge.” Physical Review Letters, vol. 84, no. 4, Jan. 2000, pp. 709–12. Scopus, doi:10.1103/PhysRevLett.84.709.
Boyer LL, Stokes HT, Mehl MJ. Calculation of polarization using a density functional method with localized charge. Physical Review Letters. 2000 Jan 24;84(4):709–712.

Published In

Physical Review Letters

DOI

EISSN

1079-7114

ISSN

0031-9007

Publication Date

January 24, 2000

Volume

84

Issue

4

Start / End Page

709 / 712

Related Subject Headings

  • General Physics
  • 51 Physical sciences
  • 49 Mathematical sciences
  • 40 Engineering
  • 09 Engineering
  • 02 Physical Sciences
  • 01 Mathematical Sciences