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Embedding calculations that find approximate solutions to the Schr\"{o}dinger equation for large molecules and realistic solids are performed commonly in a three step procedure involving (i) construction of a model system with effective…

Strongly Correlated Electrons · Physics 2016-11-15 Alexander A. Rusakov , Jordan J. Phillips , Dominika Zgid

We provide a quantum method for simulating Hamiltonian evolution with complexity polynomial in the logarithm of the inverse error. This is an exponential improvement over existing methods for Hamiltonian simulation. In addition, its scaling…

Quantum Physics · Physics 2013-10-24 Dominic W. Berry , Richard Cleve , Rolando D. Somma

Exact diagonalization is a powerful numerical method to study isolated quantum many-body systems. This paper provides a review of numerical algorithms to diagonalize the Hamiltonian matrix. Symmetry and the conservation law help us perform…

Statistical Mechanics · Physics 2020-04-29 Jung-Hoon Jung , Jae Dong Noh

We describe a numerical algorithm for approximating the equilibrium-reduced density matrix and the effective (mean force) Hamiltonian for a set of system spins coupled strongly to a set of bath spins when the total system (system+bath) is…

Quantum Physics · Physics 2023-01-25 Tyler Chen , Yu-Chen Cheng

The present work address the problem of energy shaping for stochastic port-Hamiltonian system. Energy shaping is a powerful technique that allows to systematically find feedback law to shape the Hamiltonian of a controlled system so that,…

Probability · Mathematics 2022-02-18 Francesco G. Cordoni , Luca Di Persio , Riccardo Muradore

Direct observations of compact objects, in the form of radiation spectra, gravitational waves from VIRGO/LIGO, and forthcoming direct imaging, are currently one of the primary source of information on the physics of plasmas in extreme…

High Energy Astrophysical Phenomena · Physics 2019-03-27 Fabio Bacchini , Bart Ripperda , Oliver Porth , Lorenzo Sironi

We perform a numerical analysis of a class of randomly perturbed {H}amiltonian systems and {P}oisson systems. For the considered additive noise perturbation of such systems, we show the long time behavior of the energy and quadratic…

Numerical Analysis · Mathematics 2021-04-29 David Cohen , Gilles Vilmart

Quantum mechanics features a variety of distinct properties such as coherence and entanglement, which could be explored to showcase potential advantages over classical counterparts in information processing. In general, legitimate quantum…

Quantum Physics · Physics 2023-08-17 Fuchuan Wei , Zhenhuan Liu , Guoding Liu , Zizhao Han , Xiongfeng Ma , Dong-Ling Deng , Zhengwei Liu

We consider multiscale Hamiltonian systems in which harmonic oscillators with several high frequencies are coupled to a slow system. It is shown that the oscillatory energy is nearly preserved over long times eps^{-N} for arbitrary N>1,…

Dynamical Systems · Mathematics 2015-06-05 Ludwig Gauckler , Ernst Hairer , Christian Lubich

We consider the design of structure-preserving discretization methods for the solution of systems of boundary controlled Partial Differential Equations (PDEs) thanks to the port-Hamiltonian formalism. We first provide a novel general…

Numerical Analysis · Mathematics 2020-09-30 Andrea Brugnoli , Ghislain Haine , Anass Serhani , Xavier Vasseur

In this paper we are concerned with the analysis of a class of geometric integrators, at first devised in [14, 18], which can be regarded as an energy-conserving variant of Gauss collocation methods. With these latter they share the…

Numerical Analysis · Mathematics 2018-01-03 Luigi Brugnano , Gianmarco Gurioli , Felice Iavernaro

When numerically integrating canonical Hamiltonian systems, the long-term conservation of some of its invariants, among which the Hamiltonian function itself, assumes a central role. The classical approach to this problem has led to the…

Numerical Analysis · Mathematics 2012-06-21 Luigi Brugnano , Felice Iavernaro , Donato Trigiante

In this paper we are concerned with energy-conserving methods for Poisson problems, which are effectively solved by defining a suitable generalization of HBVMs, a class of energy-conserving methods for Hamiltonian problems. The actual…

Numerical Analysis · Mathematics 2022-03-10 Pierluigi Amodio , Luigi Brugnano , Felice Iavernaro

In this paper we consider an energy storage optimization problem in finite time in a model with partial information that allows for a changing economic environment. The state process consists of the storage level controlled by the storage…

Mathematical Finance · Quantitative Finance 2016-06-21 Anton A. Shardin , Michaela Szölgyenyi

We present a discrete total variation calculus in Hamiltonian formalism in this paper. Using this discrete variation calculus and generating functions for the flows of Hamiltonian systems, we derive two-step symplectic-energy integrators of…

High Energy Physics - Theory · Physics 2009-11-07 Jing-Bo Chen , Han-Ying Guo , Ke Wu

We establish an exponential stabilization result for linear port-Hamiltonian systems of first order with quite general, not necessarily continuous, energy densities. In fact, we have only to require the energy density of the system to be of…

Analysis of PDEs · Mathematics 2018-09-05 Jochen Schmid

We combine energy-stable and port-Hamiltonian (pH) systems to obtain energy-stable port-Hamiltonian (espH) systems. The idea is to extend the known energy-stable systems with an input-output port, which results in a pH formulation. One…

Numerical Analysis · Mathematics 2025-06-10 Patrick Buchfink , Silke Glas , Hans Zwart

Adaptive precision molecular dynamics simulations have developed along energy- and force-coupling approaches, which allow for a continuous transition between different particle descriptions or interaction potentials. Most approaches…

Computational Physics · Physics 2025-12-09 David Immel , Ralf Drautz , Godehard Sutmann

An explicit high-order noncanonical symplectic algorithm for ideal two-fluid systems is developed. The fluid is discretized as particles in the Lagrangian description, while the electromagnetic fields and internal energy are treated as…

Plasma Physics · Physics 2016-11-23 Jianyuan Xiao , Hong Qin , Philip J. Morrison , Jian Liu , Zhi Yu , Ruili Zhang , Yang He

We present a class of new explicit and stable numerical algorithms to solve the spatially discretized linear heat or diffusion equation. After discretizing the space and the time variables like conventional finite difference methods, we do…

Numerical Analysis · Mathematics 2021-04-27 Endre Kovács
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