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This paper describes how to propagate wavefields for arbitrary numbers of traditional time steps in a single step, called a superstep. We show how to construct operators that accomplish this task for finite-difference time domain schemes,…

Although driven Brownian particles are ubiquitous in stochastic dynamics and often serve as paradigmatic model systems for many aspects of stochastic thermodynamics, fully analytically solvable models are few and far between. In this paper,…

Statistical Mechanics · Physics 2021-02-01 Matthias Uhl , Volker Weissmann , Udo Seifert

We propose a numerical method for approximate calculations of the time evolution of point particle systems given only the system's Hamiltonian function and initial conditions. The method both generates and solves the equations of motion…

Computational Physics · Physics 2022-12-27 José M. L. Amoreira , Luís J. M. Amoreira

Classical molecular dynamics simulation is performed mostly using the established velocity Verlet integrator or other symplectic propagation schemes. In this work, an alternative formulation of numerical propagators for classical molecular…

Chemical Physics · Physics 2024-07-22 Ivan Kondov

In this paper, we find the quantum propagator for a general time-dependent quadratic Hamiltonian. The method is based on the properties of the propagator and the fact that the quantum propagator fulfills two independent partial differential…

Quantum Physics · Physics 2023-06-07 Shohreh Janjan , Fardin Kheirandish

The quantum mechanical time-evolution is studied for a particle under the influence of an explicitly time-dependent rotating potential. We discuss the existence of the propagator and we show that in the limit of rapid rotation it converges…

Mathematical Physics · Physics 2007-05-23 Volker Enss , Vadim Kostrykin , Robert Schrader

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 present a novel theoretical formulation for performing quantum dynamics in terms of moments within the single-particle description. By expressing the quantum dynamics in terms of increasing orders of moments, instead of single-particle…

Chemical Physics · Physics 2024-01-12 Nicholas Boyer , Christopher Shepard , Ruiyi Zhou , Jianhang Xu , Yosuke Kanai

In this work we present the simplest generic form of the propagator for the time-dependent quadratic Hamiltonian. We manifest the simplicity of our method by giving explicitly the propagators for a free particle in time-dependent electric…

Quantum Physics · Physics 2014-12-12 Gal Harari , Yacob Ben-Aryeh , Ady Mann

A numerical scheme for solving the time-evolution of wave functions under the time dependent Kohn-Sham equation has been developed. Since the effective Hamiltonian depends on the wave functions, the wave functions and the effective…

Computational Physics · Physics 2009-11-07 Naoki Watanabe , Masaru Tsukada

An efficient algorithm for time propagation of the time-dependent Kohn-Sham equations is presented. The algorithm is based on dividing the Hamiltonian into small time steps and assuming that it is constant over these steps. This allows for…

Computational Physics · Physics 2014-12-03 J. K. Dewhurst , K. Krieger , S. Sharma , E. K. U. Gross

We present efficient quantum algorithms for simulating time-dependent Hamiltonian evolution of general input states using an oracular model of a quantum computer. Our algorithms use either constant or adaptively chosen time steps and are…

Quantum Physics · Physics 2011-11-03 Nathan Wiebe , Dominic W. Berry , Peter Hoyer , Barry C. Sanders

The dynamics of quantum systems can be approximated by the time propagation of Gaussian wave packets. Applying a time dependent variational principle, the time evolution of the parameters of the coupled Gaussian wave packets can be…

Quantum Physics · Physics 2008-02-01 T. Fabcic , J. Main , G. Wunner

This paper presents a new technique to calculate the evolution of a quantum wavefunction in a chosen spatial basis by minimizing the accumulated action. Introduction of a finite temporal basis reduces the problem to a set of linear…

Computational Physics · Physics 2015-05-19 Zachary B. Walters

In this work we propose an approach for implementing time-evolution of a quantum system using product formulas. The quantum algorithms we develop have provably better scaling (in terms of gate complexity and circuit depth) than a naive…

We present a simple method to expedite simulation of quantum wave-packet dynamics by more than a factor of $2$ with the Strang split-operator propagation. Dynamics of quantum wave-packets are often evaluated using the the \emph{Strang}…

Chemical Physics · Physics 2016-03-24 Igal Aharonovich , Avi Pe'er

We present a model of discrete quantum evolution based on quantum correlations between the evolving system and a reference quantum clock system. A quantum circuit for the model is provided, which in the case of a constant Hamiltonian is…

Quantum Physics · Physics 2016-07-06 A. Boette , R. Rossignoli , N. Gigena , M. Cerezo

We continue the study of time-dependent Hamiltonians with an isolated singularity in their time dependence, describing propagation on singular space-times. In previous work, two of us have proposed a "minimal subtraction" prescription for…

High Energy Physics - Theory · Physics 2014-11-18 Ben Craps , Frederik De Roo , Oleg Evnin

We develop a Lie algebraic approach to systematically calculate the evolution operator of the generalized two-dimensional quadratic Hamiltonian with time-dependent coefficients. Although the development of the Lie algebraic approach…

Mathematical Physics · Physics 2016-01-21 V. G. Ibarra-Sierra , J. C. Sandoval-Santana , J. L. Cardoso , A. Kunold

The techniques employed to solve the interaction of a detector and a quantum field typically require perturbation methods. We introduce mathematical techniques to solve the time evolution of an arbitrary number of detectors interacting with…

Quantum Physics · Physics 2014-04-01 David Edward Bruschi , Antony R. Lee , Ivette Fuentes
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