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Application of partition density-functional theory to one-dimensional models

Publication ,  Journal Article
Boyer, LL; Mehl, MJ
Published in: Physical Review A - Atomic, Molecular, and Optical Physics
July 16, 2012

We have carried out calculations for one-dimensional model systems using the self-consistency algorithm of the recently published partition density-functional theory. The issues of uniqueness of occupation numbers and a relation to the self-consistent atomic deformation model are addressed. Possibilities for obtaining more accurate representations of the kinetic-energy functional and its potential are discussed. ©2012 American Physical Society.

Duke Scholars

Published In

Physical Review A - Atomic, Molecular, and Optical Physics

DOI

EISSN

1094-1622

ISSN

1050-2947

Publication Date

July 16, 2012

Volume

86

Issue

1

Related Subject Headings

  • General Physics
  • 03 Chemical Sciences
  • 02 Physical Sciences
  • 01 Mathematical Sciences
 

Citation

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ICMJE
MLA
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Boyer, L. L., & Mehl, M. J. (2012). Application of partition density-functional theory to one-dimensional models. Physical Review A - Atomic, Molecular, and Optical Physics, 86(1). https://doi.org/10.1103/PhysRevA.86.012504
Boyer, L. L., and M. J. Mehl. “Application of partition density-functional theory to one-dimensional models.” Physical Review A - Atomic, Molecular, and Optical Physics 86, no. 1 (July 16, 2012). https://doi.org/10.1103/PhysRevA.86.012504.
Boyer LL, Mehl MJ. Application of partition density-functional theory to one-dimensional models. Physical Review A - Atomic, Molecular, and Optical Physics. 2012 Jul 16;86(1).
Boyer, L. L., and M. J. Mehl. “Application of partition density-functional theory to one-dimensional models.” Physical Review A - Atomic, Molecular, and Optical Physics, vol. 86, no. 1, July 2012. Scopus, doi:10.1103/PhysRevA.86.012504.
Boyer LL, Mehl MJ. Application of partition density-functional theory to one-dimensional models. Physical Review A - Atomic, Molecular, and Optical Physics. 2012 Jul 16;86(1).

Published In

Physical Review A - Atomic, Molecular, and Optical Physics

DOI

EISSN

1094-1622

ISSN

1050-2947

Publication Date

July 16, 2012

Volume

86

Issue

1

Related Subject Headings

  • General Physics
  • 03 Chemical Sciences
  • 02 Physical Sciences
  • 01 Mathematical Sciences