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This review is devoted to the different techniques that have been developed to compute the phase-coherent transport properties of quantum nanoelectronic systems connected to electrodes. Beside a review of the different algorithms proposed…

Optimization algorithms play a central role in chemistry since optimization is the computational keystone of most molecular and electronic structure calculations. Herein, we introduce the iterative power algorithm (IPA) for global…

Quantum Physics · Physics 2021-05-19 Micheline B. Soley , Paul Bergold , Victor S. Batista

We demonstrate an iterative scheme to approximate the optimal transportation problem with a discrete target measure under certain standard conditions on the cost function. Additionally, we give a finite upper bound on the number of…

Optimization and Control · Mathematics 2012-10-10 Jun Kitagawa

Discrete-time quantum walk in one-dimension is studied from a path-integral perspective. This enables derivation of a closed-form expression for amplitudes corresponding to any coin-position basis of the state vector of the quantum walker…

Quantum Physics · Physics 2018-03-02 Karthik S. Joshi , S. K. Srivatsa , R. Srikanth

We study a pathwise integral with respect to paths of finite quadratic variation, defined as the limit of non-anticipative Riemann sums for gradient-type integrands. We show that the integral satisfies a pathwise isometry property,…

Probability · Mathematics 2018-03-28 Anna Ananova , Rama Cont

In many systems, the time scales of the microscopic dynamics and macroscopic dynamics of interest are separated by many orders of magnitude. Examples abound, for instance nucleation, protein folding, and chemical reactions. For these…

Other Condensed Matter · Physics 2009-11-13 J. Kuipers , G. T. Barkema

A new diagrammatic quantum Monte Carlo approach is proposed to deal with the imaginary time propagator involving both dynamic disorder (i.e., electron-phonon interactions) and static disorder of local or nonlocal nature in a unified and…

Materials Science · Physics 2026-04-15 Yu-Chen Wang , Yi Zhao

Within the real-time formulation of nonequilibrium field theory, generalized transport equations are derived avoiding the standard quasiparticle approximation. They permit to include unstable particles into the transport scheme. In order to…

Nuclear Theory · Physics 2011-07-19 Yu. B. Ivanov , J. Knoll , D. N. Voskresensky

We address the role of noise and the issue of efficient computation in stochastic optimal control problems. We consider a class of non-linear control problems that can be formulated as a path integral and where the noise plays the role of…

Computational Physics · Physics 2009-11-10 H. J. Kappen

In this and subsequent paper arXiv:1011.5185 we develop a recursive approach for calculating the short-time expansion of the propagator for a general quantum system in a time-dependent potential to orders that have not yet been accessible…

Statistical Mechanics · Physics 2011-08-09 Antun Balaz , Ivana Vidanovic , Aleksandar Bogojevic , Aleksandar Belic , Axel Pelster

We study the application of the coherent-state path integral as a numerical tool for wave-packet propagation. The numerical evaluation of path integrals is reduced to a matrix-vector multiplication scheme. Together with a split-operator…

Quantum Physics · Physics 2007-05-23 Bernd Burghardt , Joachim Stolze

The light damping hypothesis is usually assumed in structural dynamics since dissipative forces are in general weak with respect to inertial and elastic forces. In this paper a novel numerical method of time integration based on the…

Numerical Analysis · Mathematics 2025-04-01 Mario Lázaro

A nonequilibrium statistical operator method is developed for ensembles of particles obeying non-Hamiltonian equations of motion in classical phase space. The main consequences of non-zero compressibility of phase space are examined in…

Statistical Mechanics · Physics 2007-05-23 Alexander V. Zhukov , Jianshu Cao

We consider the numerical approximation of a general second order semi--linear parabolic partial differential equation. Equations of this type arise in many contexts, such as transport in porous media which is fundamental in many…

Numerical Analysis · Mathematics 2015-08-20 Antoine Tambue

In this work we analyze the nonequilibrium transport through a quantum impurity (quantum dot or molecule) attached to ferromagnetic leads by using a hybrid numerical renormalization group-time-dependent density matrix renormalization group…

Mesoscale and Nanoscale Physics · Physics 2022-10-05 Anand Manaparambil , Andeas Weichselbaum , Jan von Delft , Ireneusz Weymann , .

By returning to the underlying discrete time formalism, we relate spurious results in coherent state path integral calculations to the high frequency structure of their propagators. We show how to modify the standard expressions for…

Quantum Physics · Physics 2016-11-23 Yariv Yanay , Erich J. Mueller

On the basis of the canonical quantization procedure of a system defined on a cubic lattice, we propose a new method, in which resolutions of unity expressed in terms of eigenvectors are naturally provided, to find eigenvectors of field…

High Energy Physics - Theory · Physics 2019-12-06 Seiji Sakoda

A new representation of the exact time dependent solution of the discrete master equation is derived. This representation can be considered as contraction of the path integral solution of Haken. It allows the calculation of the probability…

Statistical Mechanics · Physics 2009-10-31 Dirk Helbing

Based on a previously developed recursive approach for calculating the short-time expansion of the propagator for systems with time-independent potentials and its time-dependent generalization for simple single-particle systems, in this…

Statistical Mechanics · Physics 2011-08-08 Antun Balaz , Ivana Vidanovic , Aleksandar Bogojevic , Aleksandar Belic , Axel Pelster

We discuss the time-continuous path integration in the coherent states basis in a way that is free from inconsistencies. Employing this notion we reproduce known and exact results working directly in the continuum. Such a formalism can set…

Quantum Physics · Physics 2016-05-24 G. Kordas , S. I. Mistakidis , A. I. Karanikas