Thermal properties of many-electron systems: An integral formulation of density-functional theory
Physical Review A, ISSN: 1050-2947, Vol: 38, Issue: 11, Page: 5504-5511
1988
- 17Citations
- 18Captures
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Metrics Details
- Citations17
- Citation Indexes17
- 17
- CrossRef13
- Captures18
- Readers18
- 18
Article Description
A new approach for the calculation of thermal properties of many-electron systems is proposed via an integral formulation of the Mermin-Kohn-Sham finite-temperature density-functional theory. The electron density of a thermal-equilibrium state can be determined by solving self-consistently equations for the electron density without using orbitals. Exchange and correlation effects are incorporated. In place of the set of the single-electron equations, the total electron density is explicitly expressed in terms of the Kohn-Sham effective local potential through multidimensional integrations. The development is based on the first-order density matrix as obtained from the one-body Greens function in polygonal and Fourier path-integral representations. The formulation can also be applied to general fermions. © 1988 The American Physical Society.
Bibliographic Details
http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=0043045285&origin=inward; http://dx.doi.org/10.1103/physreva.38.5504; http://www.ncbi.nlm.nih.gov/pubmed/9900287; https://link.aps.org/doi/10.1103/PhysRevA.38.5504; http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevA.38.5504/fulltext; http://link.aps.org/article/10.1103/PhysRevA.38.5504
American Physical Society (APS)
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