Sökning: L773:1434 6028 OR L773:1434 6036 >
A v0-representabili...
A v0-representability issue in lattice ensemble-DFT and its signature in lattice TDDFT
-
- Rössler, Thomas (författare)
- Lund University,Lunds universitet,Teoretisk partikelfysik - Geonomgår omorganisation,Institutionen för astronomi och teoretisk fysik - Genomgår omorganisation,Naturvetenskapliga fakulteten,Theoretical Particle Physics - Undergoing reorganization,Department of Astronomy and Theoretical Physics - Undergoing reorganization,Faculty of Science
-
- Verdozzi, Claudio (författare)
- Lund University,Lunds universitet,Matematisk fysik,Fysiska institutionen,Institutioner vid LTH,Lunds Tekniska Högskola,Mathematical Physics,Department of Physics,Departments at LTH,Faculty of Engineering, LTH
-
- Almbladh, Carl-Olof (författare)
- Lund University,Lunds universitet,Matematisk fysik,Fysiska institutionen,Institutioner vid LTH,Lunds Tekniska Högskola,Mathematical Physics,Department of Physics,Departments at LTH,Faculty of Engineering, LTH
-
(creator_code:org_t)
- 2018-10-01
- 2018
- Engelska 8 s.
-
Ingår i: European Physical Journal B. - : Springer Science and Business Media LLC. - 1434-6028 .- 1434-6036. ; 91, s. 1-8
- Relaterad länk:
-
http://dx.doi.org/10... (free)
-
visa fler...
-
https://link.springe...
-
https://lup.lub.lu.s...
-
https://doi.org/10.1...
-
visa färre...
Abstract
Ämnesord
Stäng
- We study a small Anderson-impurity cluster using lattice density functional methods, and try todetermine the exact exchange-correlation (XC) potential via reverse engineering. In doing so we nd singlet{triplet degenerate interacting ground states which cannot be v0-represented in an ensemble-DFT sense. Wealso nd that it is possible to represent a triplet ground state as a pure state, but not the singlet. We further investigate this behavior within time-dependent density-functional theory. Starting from a v0-representableground state and entering the degeneracy region via a time-dependent perturbation, we determine via reverse-engineering the time-dependent XC potential for progressively slower perturbations. This analysis shows that, even in a constant external eld, the XC potential must retain a time-oscillating pattern to ensure a density constant in time, a hint of the underlying representability issue in the ground state.
Ämnesord
- NATURVETENSKAP -- Fysik -- Den kondenserade materiens fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Condensed Matter Physics (hsv//eng)
Publikations- och innehållstyp
- art (ämneskategori)
- ref (ämneskategori)
Hitta via bibliotek
Till lärosätets databas