Related papers: WavePacket: A Matlab package for numerical quantum…
A coherent picture of the wavepacket-reduction process is proposed which is formulated in the framework of a deterministic and realist interpretation where the concepts of knowledge or information and of point particles do not appear. It is…
The theoretical investigation of non-adiabatic processes is hampered by the complexity of the coupled electron-nuclear dynamics beyond the Born-Oppenheimer approximation. Classically, the simulation of such reactions is limited by the…
The simulation of many-body open quantum systems is key to solving numerous outstanding problems in physics, chemistry, material science, and in the development of quantum technologies. Near-term quantum computers may bring considerable…
In the context of nonrelativistic quantum mechanics, Gaussian wavepacket solutions of the time-dependent Schr\"odinger equation provide useful physical insight. This is not the case for relativistic quantum mechanics, however, for which…
Direct dynamics methods using Gaussian wavepackets have to rely only on local properties, such as gradients and hessians at the center of the wavepacket, so as to be compatible with the usual quantum chemistry methods. Matrix elements of…
We consider finite-dimensional many-body quantum systems described by time-independent Hamiltonians and Markovian master equations, and present a systematic method for constructing smaller-dimensional, reduced models that exactly reproduce…
Quantum computing has the potential to reduce the computational cost required for quantum dynamics simulations. However, existing quantum algorithms for coupled electron-nuclear dynamics simulation either require fault-tolerant devices, or…
Stroboscopic wavepacket basis sets [P. Bokes, F. Corsetti, R. W. Godby, Phys. Rev. Lett. 101, 046402 (2008)] are specifically tailored for a description of time-dependent processes in extended systems like non-periodic geometries of various…
Gaussian wavepackets are a popular tool for semiclassical analyses of classically chaotic systems. We demonstrate that they are extremely powerful in the semiquantal analysis of such systems, too, where their dynamics can be recast in an…
Quantum states can be described equivalently by density matrices, Wigner functions or quantum tomograms. We analyze the accuracy and performance of three related semiclassical approaches to quantum dynamics, in particular with respect to…
We propose in this paper a gradient-type dynamical system to solve the problem of maximizing quantum observables for finite dimensional closed quantum ensembles governed by the controlled Liouville-von Neumann equation. The asymptotic…
In this study, we address the challenge of controlling quantum systems under environmental influences using the theory of dynamical invariants. We employ a reverse engineering approach to develop control protocols designed to be robust…
With approaching quantum/noncommutative models for the deep microscopic spacetime in mind, and inspired by our recent picture of the (projective) Hilbert space as the model of physical space behind basic quantum mechanics, we reformulate…
Analog quantum simulators with global control fields have emerged as powerful platforms for exploring complex quantum phenomena. Despite these advances, a fundamental theoretical question remains unresolved: to what extent can such systems…
We demonstrate a new method of simulation of nonstationary quantum processes, considering the tunneling of two {\it interacting identical particles}, represented by wave packets. The used method of quantum molecular dynamics (WMD) is based…
\textsc{Quantum Package} is an open-source programming environment for quantum chemistry specially designed for wave function methods. Its main goal is the development of determinant-driven selected configuration interaction (sCI) methods…
In this paper, we study the synthesis of Gegenbauer processes using the wavelet packets transform. In order to simulate a 1-factor Gegenbauer process, we introduce an original algorithm, inspired by the one proposed by Coifman and…
QwaveMPS is an open-source Python library for simulating one-dimensional quantum many-body waveguide systems using matrix product states (MPS). It provides a user-friendly interface for constructing, evolving, and analyzing quantum states…
Accurate simulation of the non-adiabatic dynamics of molecules in excited electronic states is key to understanding molecular photo-physical processes. Here we present a novel method, based on a semiclassical approximation, that is as…
We present a generic treatment of wave-packet revivals for quantum-mechanical systems. This treatment permits a classification of certain ideal revival types. For example, wave packets for a particle in a one-dimensional box are shown to…