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Showing 2012 · cond-mat.str-elShow all
3 papers · 2 filters
cond-mat.str-el2012★ 32 cited
Lattice density functional theory at finite temperature with strongly density-dependent exchange-correlation potentials
Gao Xianlong, A-Hai Chen, I. V. Tokatly +1
The derivative discontinuity of the exchange-correlation (xc) energy at integer particle number is a property of the exact, unknown xc functional of density functional theory (DFT)…
cond-mat.str-el2012★ 61 cited
Microscopic resolution of the interplay of Kondo screening and superconducting pairing: Mn-phthalocyanine molecules adsorbed on superconducting Pb(111)
J. Bauer, J. I. Pascual, K. J. Franke
Magnetic molecules adsorbed on a superconductor give rise to a local competition of Cooper pair and Kondo singlet formation inducing subgap bound states. For Manganese-phthalocyani…
cond-mat.str-el2012★ 49 cited
Time-dependent density functional theory on a lattice
Mehdi Farzanehpour, I. V. Tokatly
A time-dependent density functional theory (TDDFT) for a quantum many-body system on a lattice is formulated rigorously. We prove the uniqueness of the density-to-potential mapping…