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Volumn 82, Issue 15, 2010, Pages

Kadanoff-Baym dynamics of Hubbard clusters: Performance of many-body schemes, correlation-induced damping and multiple steady and quasi-steady states

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EID: 78149258741     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.82.155108     Document Type: Article
Times cited : (121)

References (79)
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    • The Dyson equations for T or W are solved in a similar way.
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    • †. This will henceforth be implicit in all similar symmetry relations.
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    • ′). We alert the reader that this definition encompasses isolated and (unbiased/biased) contacted systems alike.
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    • The theoretical formulation to treat macroscopic leads within the Keldysh formalism will be presented in detail in a future paper.
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    • The hopping parameter in the central region is, similarly to the isolated case, set to unity throughout the paper.
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    • In Figs., we have, in addition to a nonzero external field shifted the on-site energy by - U / 2 in order to have the same filling in the central region as in the isolated clusters.
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    • Should these features of the KBE turn out to be artificial, one could try to find ways to suppress the nonphysical behavior while keeping the connection to MBPT. One possibility could be to use the variational properties of the underlying Φ functional and use the Sham-Schlüter equation to determine on the fly the corresponding TDDFT potentials. At full self-consistency, the TDDFT dynamics would just reproduce the damped KBE dynamics. If one instead use optimized one-particle G when constructing the exchange correlation potential, v x c. (Refs.), we expect that the nonphysical damping will be reduced or removed without seriously deteriorating the short-time dynamics. In the BA, this approach consists in using a (time-) optimized independent-particle G when constructing the self-energy and v x c and in Sec. we saw that the damping is indeed reduced. The use of MBPT based TDDFT potentials could also be of great importance, due to the possibility of treating larger and more complex systems.
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    • R R′. The space in which the expressions are represented are given by the context.
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    • Explicit reference to the two-time dependencies is omitted as t1 = t2
    • Explicit reference to the two-time dependencies is omitted as t 1 = t 2.


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