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A first-principles approach to describe electron dynamics in open quantum systems driven far from equilibrium via external time-dependent stimuli is introduced. Within this approach, the driven Liouville von Neumann methodology is used to…

Mesoscale and Nanoscale Physics · Physics 2023-05-10 Annabelle Oz , Abraham Nitzan , Oded Hod , Juan E. Peralta

Non-equilibrium thermodynamics of the driven resonant level model is studied using numerical simulations based on the driven Liouville von-Neumann formalism. The approach is first validated against recently obtained analytical results for…

Mesoscale and Nanoscale Physics · Physics 2019-10-08 Annabelle Oz , Oded Hod , Abraham Nitzan

The Driven Liouville von Neumann approach [J. Chem. Theory Comput. 10, 2927-2941 (2014)] is a computationally efficient simulation method for modeling electron dynamics in molecular electronics junctions. Previous numerical simulations have…

Chemical Physics · Physics 2016-06-08 Oded Hod , César A. Rodríguez-Rosario , Tamar Zelovich , Thomas Frauenheim

In a recent article, Chiang and Hsu [The Journal of Chemical Physics 153, 044103 (2020)] examine one and two site electronic junctions identically connected to finite reservoirs. For these two examples, they derive analytical solutions, as…

Quantum Physics · Physics 2021-02-23 Michael Zwolak

We apply the Liouville-von Neumann (LvN) approach to open systems to describe the nonequilibrium quantum evolution. The Liouville-von Neumann approach is a unified method that can be applied to both time-independent (closed) and…

Statistical Mechanics · Physics 2016-08-31 Sang Pyo Kim

The non-Markovian dynamics of open quantum systems is still a challenging task, particularly in the non-perturbative regime at low temperatures. While the Stochastic Liouville-von Neumann equation (SLN) provides a formally exact tool to…

Statistical Mechanics · Physics 2016-12-21 Michael Wiedmann , Jürgen T. Stockburger , Joachim Ankerhold

We propose a new method for simulating electron dynamics in open quantum systems out of equilibrium, using a finite atomistic model. The proposed method is motivated by the intuitive and practical nature of the driven Liouville von-Neumann…

Mesoscale and Nanoscale Physics · Physics 2014-09-23 Tamar Zelovich , Leeor Kronik , Oded Hod

We consider a collective quantum spin-$s$ in contact with Markovian spin-polarized baths. Using a conserved super-operator charge, a differential representation of the Liouvillian is constructed to find its exact spectrum and eigen-modes.…

Quantum Physics · Physics 2019-01-09 Pedro Ribeiro , Tomaž Prosen

Previous years researchers began to simulate open quantum system, taking into account the interaction between system and the environment. One approach to deal with this problem is to use the density matrix within the Liouville-von-Neumann…

Quantum Physics · Physics 2025-09-15 Mohammad Attrash , Roi Baer

An exact and efficient new method to simulate dynamics in dissipative quantum systems is presented. A stochastic Liouville equation, deduced from Feynman and Vernon's path-integral expression of the reduced density matrix, is used to…

Statistical Mechanics · Physics 2009-10-31 J. Stockburger , C. H. Mak

We obtain an explicit solution for the stationary state populations of a dissipative Fano model, where a discrete excited state is coupled to a continumm set of states; both excited set of states are reachable by photo-excitation from the…

We propose in this paper a gradient-type dynamical system to solve the problem of maximizing quantum observables for finite dimensional closed quantum ensembles governed by the controlled Liouville-von Neumann equation. The asymptotic…

Optimization and Control · Mathematics 2011-10-03 Ruixing Long , Herschel Rabitz

We develop analytical tools and numerical methods for time evolving the total density matrix of the finite-size Anderson model. The model is composed of two finite metal grains, each prepared in canonical states of differing chemical…

Mesoscale and Nanoscale Physics · Physics 2015-06-11 Manas Kulkarni , Kunal L Tiwari , Dvira Segal

An approximate method based on adiabatic time dependent density functional theory (TDDFT) is presented, that allows for the description of the electron dynamics in nanoscale junctions under arbitrary time dependent external potentials. In…

Mesoscale and Nanoscale Physics · Physics 2015-05-27 Y. Wang , C. -Y. Yam , G. H. Chen , Th. Frauenheim , T. A. Niehaus

We use the so-called Liouville-von Neumann (LvN) approach to study the nonequilibrium quantum dynamics of time-dependent second order phase transitions. The LvN approach is a canonical method that unifies the functional Schr\"{o}dinger…

High Energy Physics - Phenomenology · Physics 2009-10-31 Sang Pyo Kim , Chul H. Lee

The effective dynamics of a system interacting with a bath or environment is presented in two ways, (1) the (LGKS) replacement of the von Neuman equation for the density matrix and (2) the Feynman-Vernon path-integral derivation, by…

Quantum Physics · Physics 2023-12-29 Jose A. Magpantay

Open quantum systems far from thermal equilibrium can exhibit remarkable physical phenomena including topological properties without a direct equilibrium counterpart. Along these lines, in periodically driven dissipative systems within the…

Mesoscale and Nanoscale Physics · Physics 2025-11-24 Florian Koch , Yu-Min Hu , Jan Carl Budich

We study dissipative translationally invariant free-fermionic theories with quadratic Liouvillians. Using a Lie-algebraic approach, we solve the Lindblad equation and find the density matrix at all times for arbitrary time dependence of the…

Quantum Physics · Physics 2020-11-23 L. R. Bakker , V. I. Yashin , D. V. Kurlov , A. K. Fedorov , V. Gritsev

We introduce algebraic approach for superoperators that might be useful tool for investigation of quantum (bosonic) multi-mode systems and its dynamics. In order to demonstrate potential of proposed method we consider multi-mode Liouvillian…

Quantum Physics · Physics 2022-07-05 Andrei Gaidash , Anton Kozubov , Alexei Kiselev , George Miroshnichenko

Open system dynamics in a classical setting is microscopically governed by the structure of the thermal environment which influences the dynamics of the probe particle (free or in an external potential). Nonlinear baths have recently been…

Statistical Mechanics · Physics 2018-07-20 Chitrak Bhadra , Ion Santra , Dhruba Banerjee
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