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
APA
Chicago
ICMJE
MLA
NLM
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