Related papers: Observable Error Bounds of the Time-splitting Sche…
Known as no fast-forwarding theorem in quantum computing, the simulation time for the Hamiltonian evolution needs to be $O(\|H\| t)$ in the worst case, which essentially states that one can not go across the multiple scales as the…
Efficient simulation of the semiclassical Schr\"odinger equation has garnered significant attention in the numerical analysis community. While controlling the error in the unitary evolution or the wavefunction typically requires the time…
In this paper we study the semiclassical limit of the Schr\"odinger equation. Under mild regularity assumptions on the potential $U$ which include Born-Oppenheimer potential energy surfaces in molecular dynamics, we establish asymptotic…
We propose and simulate a protocol to evolve a quantum particle forward in time such that its trajectory closely matches that of the particle's Newtonian counterpart. Using short bursts of Schr\"odinger time-evolution interleaved with…
In the classical work by Irving and Zwanzig [Irving J.H. and Zwanzig R.W., J. Chem. Phys. 19 (1951), 1173-1180 ] it has been shown that quantum observables for macroscopic density, momentum and energy satisfy the conservation laws of fluid…
The semiclassically scaled time-dependent multi-particle Schr\"odinger equation describes, inter alia, quantum dynamics of nuclei in a molecule. It poses the combined computational challenges of high oscillations and high dimensions. This…
We prove an error estimate for a Lie-Trotter splitting operator associated to the Schrodinger-Poisson equation in the semiclassical regime, when the WKB approximation is valid. In finite time, and so long as the solution to a compressible…
Starting from the Schr\"odinger-equation of a composite system, we derive unified dynamics of a classical harmonic system coupled to an arbitrary quantized system. The classical subsystem is described by random phase-space coordinates…
This article is devoted to the construction of new numerical methods for the semiclassical Schr\"odinger equation. A phase-amplitude reformulation of the equation is described where the Planck constant epsilon is not a singular parameter.…
This paper is concerned with the efficient numerical treatment of 1D stationary Schr\"odinger equations in the semi-classical limit when including a turning point of first order. For the considered scattering problems we show that the wave…
This article is devoted to the construction of numerical methods which remain insensitive to the smallness of the semiclassical parameter for the linear Schr{\"o}dinger equation in the semiclassical limit. We specifically analyse the…
We present a time dependent quantum perturbation result, uniform in the Planck constant, for perturbations of potentials whose gradients are Lipschitz continuous by potentials whose gradients are only bounded a.e.. Though this low…
We present a new hydrodynamic analogy of nonrelativistic quantum particles in potential wells. Similarities between a real variant of the Schr\"odinger equation and gravity-capillary shallow water waves are reported and analyzed. We show…
Recent progress in the development of quantum technologies has enabled the direct investigation of dynamics of increasingly complex quantum many-body systems. This motivates the study of the complexity of classical algorithms for this…
By using the pseudo-metric introduced in [F. Golse, T. Paul: Archive for Rational Mech. Anal. 223 (2017) 57-94], which is an analogue of the Wasserstein distance of exponent $2$ between a quantum density operator and a classical…
The Ehrenfest dynamics, representing a quantum-classical mean-field type coupling, is a widely used approximation in quantum molecular dynamics. In this paper, we propose a time-splitting method for an Ehrenfest dynamics, in the form of a…
We propose a hybrid approach to simulate quantum many body dynamics by combining Trotter based quantum algorithm with classical dynamic mode decomposition. The interest often lies in estimating observables rather than explicitly obtaining…
The essentials of quantum theory, the Schr\"odinger equation and the Planck constant, are derived using classical statistical mechanics within the non-local Machan model. The appearance of complex wave function is connected with the…
The proper time of an observer can be introduced as a degree of freedom in quantum cosmology, additional to the existing fields. We review two arguments for using the Schr\"odinger equation to evolve the corresponding wavefunction. We…
Application of the fractional calculus to quantum processes is presented. In particular, the quantum dynamics is considered in the framework of the fractional time Schr\"odinger equation (SE), which differs from the standard SE by the…