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
APA
Chicago
ICMJE
MLA
NLM
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