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1.
Phys Rev Lett ; 121(23): 233201, 2018 Dec 07.
Article in English | MEDLINE | ID: mdl-30576192

ABSTRACT

A tenet of time-resolved spectroscopy is "faster laser pulses for shorter timescales". Here, we suggest turning this paradigm around, and slowing down the system dynamics via repeated measurements, to do spectroscopy on longer timescales. This is the principle of the quantum Zeno effect. We exemplify our approach with the Auger process, and find that repeated measurements increase the core-hole lifetime, redistribute the kinetic energy of Auger electrons, and alter entanglement formation. We further provide an explicit experimental protocol for atomic Li, to make our proposal concrete.

2.
Phys Rev Lett ; 116(23): 236402, 2016 Jun 10.
Article in English | MEDLINE | ID: mdl-27341247

ABSTRACT

We propose a description of nonequilibrium systems via a simple protocol that combines exchange-correlation potentials from density functional theory with self-energies of many-body perturbation theory. The approach, aimed to avoid double counting of interactions, is tested against exact results in Hubbard-type systems, with respect to interaction strength, perturbation speed and inhomogeneity, and system dimensionality and size. In many regimes, we find significant improvement over adiabatic time dependent density functional theory or second Born nonequilibrium Green's function approximations. We briefly discuss the reasons for the residual discrepancies, and directions for future work.

3.
Top Curr Chem ; 347: 347-84, 2014.
Article in English | MEDLINE | ID: mdl-24797232

ABSTRACT

Time-resolved spectroscopy has an emerging role among modern material-characterization techniques. Two powerful theoretical formalisms for systems out of equilibrium (and thus for time-resolved spectroscopy) are Non-Equilibrium Green's Functions (NEGF) and Time-Dependent Density Functional Theory (TDDFT). In this chapter, we offer a perspective (with more emphasis on the NEGF) on their current capability to deal with the case of strongly correlated materials. To this end, the NEGF technique is briefly presented, and its use in time-resolved spectroscopy highlighted. We then show how a linear response description is recovered from NEGF real-time dynamics. This is followed by a review of a recent ab initio NEGF treatment and by a short introduction to TDDFT. With these background notions, we turn to the problem of describing strong correlation effects by NEGF and TDDFT. This is done in terms of model Hamiltonians: using simple lattice systems as benchmarks, we illustrate to what extent NEGF and TDDFT can presently describe complex materials out of equilibrium and with strong electronic correlations. Finally, an outlook is given on future trends in NEGF and TDDFT research of interest to time-resolved spectroscopy.

4.
Sci Rep ; 3: 2570, 2013.
Article in English | MEDLINE | ID: mdl-23999144

ABSTRACT

Non-equilibrium quantum phenomena are ubiquitous in nature. Yet, theoretical predictions on the real-time dynamics of many-body quantum systems remain formidably challenging, especially for high dimensions, strong interactions or disordered samples. Here we consider a notable paradigm of strongly correlated Fermi systems, the Mott phase of the Hubbard model, in a setup resembling ultracold-gases experiments. We study the three-dimensional expansion of a cloud into an optical lattice after removing the confining potential. We use time-dependent density-functional theory combined with dynamical mean-field theory, considering interactions below and above the Mott threshold, as well as disorder effects. At strong coupling, we observe multiple timescales in the melting of the Mott wedding-cake structure, as the Mott plateau persist orders of magnitude longer than the band insulating core. We also show that disorder destabilises the Mott plateau and that, compared to a clean setup, localisation can decrease, creating an interesting dynamic crossover during the expansion.

5.
Phys Rev Lett ; 104(23): 236801, 2010 Jun 11.
Article in English | MEDLINE | ID: mdl-20867260

ABSTRACT

The role of the discontinuity of the exchange-correlation potential of density functional theory is studied in the context of electron transport and shown to be intimately related to Coulomb blockade. By following the time evolution of an interacting nanojunction attached to biased leads, we find that, instead of evolving to a steady state, the system reaches a dynamical state characterized by correlation-induced current oscillations. Our results establish a dynamical picture of Coulomb blockade manifesting itself as a periodic sequence of charging and discharging of the nanostructure.


Subject(s)
Models, Chemical , Quantum Theory , Nanostructures/chemistry , Time Factors
6.
Phys Rev Lett ; 103(17): 176404, 2009 Oct 23.
Article in English | MEDLINE | ID: mdl-19905776

ABSTRACT

We study the nonequilibrium dynamics of small, strongly correlated clusters, described by a Hubbard Hamiltonian, by propagating in time the Kadanoff-Baym equations within the Hartree-Fock, second Born, GW, and T-matrix approximations. We compare the results to exact numerical solutions. We find that the time-dependent T matrix is overall superior to the other approximations, and is in good agreement with the exact results in the low-density regime. In the long time limit, the many-body approximations attain an unphysical steady state which we attribute to the implicit inclusion of infinite-order diagrams in a few-body system.

8.
Phys Rev Lett ; 74(12): 2327-2330, 1995 Mar 20.
Article in English | MEDLINE | ID: mdl-10057900
11.
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