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We present a quantum algorithm for the simulation of molecular systems that is asymptotically more efficient than all previous algorithms in the literature in terms of the main problem parameters. As in previous work [Babbush et al., New…

The combined quantum electron-nuclear dynamics is often associated with the Born-Huang expansion of the molecular wave function and the appearance of nonadiabatic effects as a perturbation. On the other hand, native multicomponent…

We define new symbol classes for pseudodifferntial operators and investigate their pseudodifferential calculus. The symbol classes are parametrized by commutative convolution algebras. To every solid convolution algebra over a lattice we…

Functional Analysis · Mathematics 2010-12-21 Karlheinz Gröchenig , Ziemowit Rzeszotnik

One can argue that on flat space $\mathbb{R}^d$ the Weyl quantization is the most natural choice and that it has the best properties (e.g. symplectic covariance, real symbols correspond to Hermitian operators). On a generic manifold, there…

Mathematical Physics · Physics 2020-05-07 Jan Dereziński , Adam Latosiński , Daniel Siemssen

The aim of this work is to develop a global calculus for pseudo-differential operators acting on suitable algebras of generalized functions. In particular, a condition of global hypoellipticity of the symbols gives a result of regularity…

Analysis of PDEs · Mathematics 2007-05-23 Claudia Garetto

We introduce novel algorithms for the quantum simulation of molecular systems which are asymptotically more efficient than those based on the Trotter-Suzuki decomposition. We present the first application of a recently developed technique…

We use a noncommutative generalization of Fourier analysis to define a broad class of pseudo-probability representations, which includes the known bosonic and discrete Wigner functions. We characterize the groups of quantum unitary…

Mathematical Physics · Physics 2020-05-19 Sang Jun Park , Cedric Beny , Hun Hee Lee

We show how a quantum computer may efficiently simulate a disordered Hamiltonian, by incorporating a pseudo-random number generator directly into the time evolution circuit. This technique is applied to quantum simulation of few-body…

Disordered Systems and Neural Networks · Physics 2020-03-25 Andrei Alexandru , Paulo F. Bedaque , Scott Lawrence

Smoothed Wigner transforms have been used in signal processing, as a regularized version of the Wigner transform, and have been proposed as an alternative to it in the homogenization and / or semiclassical limits of wave equations. We…

Analysis of PDEs · Mathematics 2015-05-19 Agissilaos G. Athanassoulis , Norbert J. Mauser , Thierry Paul

Starting out from a new description of a class of parameter-dependent pseudodifferential operators with finite regularity number due to G. Grubb, we introduce a calculus of parameter-dependent, poly-homogeneous symbols whose homogeneous…

Analysis of PDEs · Mathematics 2020-04-13 Jörg Seiler

The Koopman-von Neumann equation describes the evolution of wavefunctions associated with autonomous ordinary differential equations and can be regarded as a quantum physics-inspired formulation of classical mechanics. The main advantage…

Dynamical Systems · Mathematics 2026-04-10 Stefan Klus , Feliks Nüske , Patrick Gelß

In this work, we investigate the capability of known quantum-computing algorithms for fault-tolerant quantum computing to simulate the laser-driven electron dynamics in small molecules such as lithium hydride. These computations are…

Quantum Physics · Physics 2022-05-24 Fabian Langkabel , Annika Bande

We consider a class of pseudodifferential operators with a doubly characteristic point, where the quadratic part of the symbol fails to be elliptic but obeys an averaging assumption. Under suitable additional assumptions, semiclassical…

Analysis of PDEs · Mathematics 2016-07-14 Joe Viola

We prove sparse bounds for pseudodifferential operators associated to H\"ormander symbol classes. Our sparse bounds are sharp up to the endpoint and rely on a single scale analysis. As a consequence, we deduce a range of weighted estimates…

Classical Analysis and ODEs · Mathematics 2018-03-23 David Beltran , Laura Cladek

We investigate the profound relation between the equations of biological evolution and quantum mechanics by writing a biologically inspired equation for the stochastic dynamics of an ensemble of particles. Interesting behavior is observed…

Statistical Mechanics · Physics 2015-05-20 Ginestra Bianconi , Christoph Rahmede

Hybrid quantum-classical optimization algorithms represent one of the most promising application for near-term quantum computers. In these algorithms the goal is to optimize an observable quantity with respect to some classical parameters,…

Quantum Physics · Physics 2021-01-27 Leonardo Banchi , Gavin E. Crooks

We investigate the algebraic properties of the quantum counterpart of the classical canonical transformations using the symbol-calculus approach to quantum mechanics. In this framework we construct a set of pseudo-differential operators…

High Energy Physics - Theory · Physics 2015-06-26 E. Gozzi , M. Reuter

In this paper, we are interested in the construction of a bilinear pseudodifferential calculus. We define some symbolic classes which contains those of Coifman-Meyer. These new classes allow us to consider operators closely related to the…

Classical Analysis and ODEs · Mathematics 2008-02-21 Frederic Bernicot

We consider here pseudo-differential operators whose symbol $\sigma(x,\xi)$ is not infinitely smooth with respect to $x$. Decomposing such symbols into four -sometimes five- components and using tools of paradifferential calculus, we derive…

Analysis of PDEs · Mathematics 2007-05-23 David Lannes

We introduce a minimalistic notion of semiclassical quantization and use it to prove that the convex hull of the semiclassical spectrum of a quantum system given by a collection of commuting operators converges to the convex hull of the…

Mathematical Physics · Physics 2017-05-17 Álvaro Pelayo , Leonid Polterovich , San Vũ Ngoc