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20002026
most citedCharge dynamics in molecular junctions: Nonequilibrium Green's Function approach made fast

105 citations · 1.9k across the 97 of their papers we have counts for

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46 papers · 1 filter

cond-mat.mes-hall2026

Incoherent dark excitons extend Floquet-like physics across time and momentum

Xing Zhu, Jacques Hawecker, Enrico Perfetto +16

Floquet phenomena - where a coherent, time-periodic drive hybridizes the conduction band with energy-replicated copies of the valence band - have been demonstrated with intense opt…

cond-mat.mes-hall2026

Excitonic Mott transition without population inversion

Oleg Dogadov, Armando Genco, Allison R. Cadore +12

Exciton dissociation via the excitonic Mott transition (EMT) governs the high-density optical response of semiconductors and sets fundamental limits for optoelectronic devices. The…

cond-mat.mes-hall2025

Non-Hermitian Bethe-Salpeter Equation for Open Systems: Emergence of Exceptional Points in Excitonic Spectra from First Principles

Zhenlin Zhang, Wei Hu, Enrico Perfetto +1

In open quantum systems hosting excitons, dissipation mechanisms critically shape the excitonic dynamics, band-structure and topological properties. A microscopic understanding of…

cond-mat.mes-hall2024★ 16 cited

Theory of coherent phonons coupled to excitons

Enrico Perfetto, Kai Wu, Gianluca Stefanucci

The interaction of excitons with lattice vibrations underlies the scattering from bright to dark excitons as well as the coherent modulation of the exciton energy. Unlike the forme…

cond-mat.mes-hall2023★ 1 cited

Real-time GW-Ehrenfest-Fan-Migdal method for nonequilibrium 2D materials

Enrico Perfetto, Gianluca Stefanucci

Quantum simulations of photoexcited low-dimensional systems are pivotal for understanding how to functionalize and integrate novel two-dimensional (2D) materials in next-generation…

cond-mat.mes-hall2022★ 31 cited

Time-linear quantum transport simulations with correlated nonequilibrium Green's functions

R. Tuovinen, Y. Pavlyukh, E. Perfetto +1

We present a time-linear scaling method to simulate open and correlated quantum systems out of equilibrium. The method inherits from many-body perturbation theory the possibility t…

cond-mat.mes-hall2021★ 69 cited

Real-time GW: Toward an ab initio description of the ultrafast carrier and exciton dynamics in two-dimensional materials

E. Perfetto, Y. Pavlyukh, G. Stefanucci

We demonstrate the feasibility of the time-linear scaling formulation of the method [Phys. Rev. Lett. {\bf 124}, 076601 (2020)] for {\it ab initio} simulations of optically dr…

cond-mat.mes-hall2020★ 25 cited

Electronic transport in molecular junctions: The generalized Kadanoff-Baym ansatz with initial contact and correlations

Riku Tuovinen, Robert van Leeuwen, Enrico Perfetto +1

The generalized Kadanoff-Baym ansatz (GKBA) offers a computationally inexpensive approach to simulate out-of-equilibrium quantum systems within the framework of nonequilibrium Gree…

cond-mat.mes-hall2020★ 9 cited

Ultrafast creation and melting of nonequilibrium excitonic condensates in bulk WSe

E. Perfetto, G. Stefanucci

We study the screened dynamics of the nonequilibrium excitonic consensate forming in a bulk WSe when illuminated by coherent light resonant with the lowest-energy exciton. In…

cond-mat.mes-hall2020

Self-consistent screening enhances stability of the nonequilibrium excitonic insulator phase

E. Perfetto, A. Marini, G. Stefanucci

The nonequilibrium excitonic insulator (NEQ-EI) is an excited state of matter characterized by a finite density of coherent excitons and a time-dependent macroscopic polarization.…

cond-mat.mes-hall2020★ 60 cited

Observation of an excitonic Mott transition through ultrafast core--conduction photoemission spectroscopy

Maciej Dendzik, R. Patrick Xian, Enrico Perfetto +19

Time-resolved soft-X-ray photoemission spectroscopy is used to simultaneously measure the ultrafast dynamics of core-level spectral functions and excited states upon excitation of…

cond-mat.mes-hall2020★ 31 cited

Floquet topological phase of nondriven -wave nonequilibrium excitonic insulators

E. Perfetto, G. Stefanucci

The nontrivial topology of {\it p}-wave superfluids make these systems attractive candidate in information technology. In this work we report on the topological state of a {\it p}-…

cond-mat.mes-hall2019★ 30 cited

Distinguishing Majorana Zero Modes from Impurity States through Time-Resolved Transport

Riku Tuovinen, Enrico Perfetto, Robert van Leeuwen +2

We study time-resolved charge transport in a superconducting nanowire using time-dependent Landauer-B{ü}ttiker theory. We find that the steady-state Majorana zero-bias conductance…

cond-mat.mes-hall2018★ 29 cited

Real-time dynamics of Auger wavepackets and decays in ultrafast charge migration processes

F. Covito, E. Perfetto, A. Rubio +1

The Auger decay is a relevant recombination channel during the first few femtoseconds of molecular targets impinged by attosecond XUV or soft X-ray pulses. Including this mechanism…

cond-mat.mes-hall2018

Ultrafast Charge Migration in XUV Photoexcited Phenylalanine: a First-Principles Study Based on Real-Time Nonequilibrium Green's Functions

E. Perfetto, D. Sangalli, A. Marini +1

The early stage density oscillations of the electronic charge in molecules irradiated by an attosecond XUV pulse takes place on femto- or subfemtosecond timescales. This ultrafast…

cond-mat.mes-hall2018★ 28 cited

An ab-initio approach to describe coherent and non-coherent exciton dynamics

Davide Sangalli, Enrico Perfetto, Gianluca Stefanucci +1

The use of ultra-short laser pulses to pump and probe materials activates a wealth of processes which involve the coherent and non coherent dynamics of interacting electrons out of…

cond-mat.mes-hall2018★ 46 cited

Charge separation in donor-C60 complexes with real-time Green's functions: The importance of nonlocal correlations

E. Viñas Boström, A. Mikkelsen, C. Verdozzi +2

We use the Nonequilibrium Green's Function (NEGF) method to perform real-time simulations of the ultrafast electron dynamics of photoexcited donor-C60 complexes modeled by a Parise…

cond-mat.mes-hall2017★ 33 cited

Molecular junctions and molecular motors: Including Coulomb repulsion in electronic friction using nonequilibrium Green's functions

Miroslav Hopjan, Gianluca Stefanucci, Enrico Perfetto +1

We present a theory of molecular motors based on the Ehrenfest dynamics for the nuclear coordinates and the adiabatic limit of the Kadanoff-Baym equations for the current-induced f…

cond-mat.mes-hall2016★ 86 cited

First-principles approach to excitons in time-resolved and angle-resolved photoemission spectra

E. Perfetto, D. Sangalli, A. Marini +1

We show that any {\em quasi-particle} or GW approximation to the self-energy does not capture excitonic features in time-resolved (TR) photoemission spectroscopy. In this work we p…

cond-mat.mes-hall2015★ 16 cited

Density Functional Theory of the Seebeck coefficient in the Coulomb blockade regime

Kaike Yang, Enrico Perfetto, Stefan Kurth +2

The Seebeck coefficient plays a fundamental role in identifying the efficiency of a thermoelectric device. Its theoretical evaluation for atomistic models is routinely based on Den…

cond-mat.mes-hall2015★ 13 cited

Time-dependent Landauer-Büttiker formalism for superconducting junctions at arbitrary temperatures

Riku Tuovinen, Robert van Leeuwen, Enrico Perfetto +1

We discuss an extension of our earlier work on the time-dependent Landauer--Büttiker formalism for noninteracting electronic transport. The formalism can without complication be ex…

cond-mat.mes-hall2015

Transient dynamics in the Anderson-Holstein model with interfacial screening

E. Perfetto, G. Stefanucci

We study the combined effects of electron-phonon coupling and dot-lead repulsion in the transport properties of the Anderson-Holstein model. We employ a recently proposed nonpertur…

cond-mat.mes-hall2014★ 25 cited

Time-resolved charge fractionalization in inhomogeneous Luttinger liquids

E. Perfetto, G. Stefanucci, H. Kamata +1

The recent observation of charge fractionalization in single Tomanga-Luttinger liquids (TLLs) [Kamata et al., Nature Nanotech., 9 177 (2014)] opens new routes for a systematic inve…

cond-mat.mes-hall2013★ 64 cited

Time-dependent Landauer-Büttiker formula: application to transient dynamics in graphene nanoribbons

Riku Tuovinen, Enrico Perfetto, Gianluca Stefanucci +1

In this work we develop a time-dependent extension of the Landauer-Büttiker approach to study transient dynamics in time-dependent quantum transport through molecular junctions. A…