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We show how the dynamically nonlocal formulation of classical nuclear motion in the presence of quantal electronic transitions presented many years ago by Pechukas can be localized in time using time dependent perturbation theory to give an…

chem-ph · Physics 2009-10-22 D. F. Coker , L. Xiao

Quantum walk serves as a versatile tool for universal quantum computing and algorithmic research. However, the implementation of discrete-time quantum walks (DTQWs) with superconducting circuits is still constrained by some limitations such…

Non-adiabatic transitions in multilevel systems appear in various fields of physics, but it is not easy to analyze their dynamics in general. In this paper, we propose to extend the adiabatic impulse approximation to multilevel systems.…

Quantum Physics · Physics 2022-03-02 Takayuki Suzuki , Hiromichi Nakazato

In this paper, we aim at developing computationally tractable methods for nonlinear model/controller reduction. Recently, model reduction by generalized differential (GD) balancing has been proposed for nonlinear systems with constant…

Systems and Control · Electrical Eng. & Systems 2021-11-08 Yu Kawano

With increasing performance of actual qubit devices, even subtle effects in the interaction between qubits and environmental degrees of freedom become progressively relevant and experimentally visible. This applies particularly to the…

Quantum Physics · Physics 2024-02-01 Kiyoto Nakamura , Joachim Ankerhold

We propose a systematic approach to the basis set extension for nonadiabatic dynamics of entangled combination of nuclear coherent states (CSs) evolving according to the time-dependent variational principle (TDVP). TDVP provides a rigorous…

Chemical Physics · Physics 2017-03-14 Artur F. Izmaylov , Loïc Joubert-Doriol

We investigate the nonequilibrium dynamics of a laser-pumped two-dimensional spinless Holstein model within a semiclassical framework, focusing on the melting and recovery of long-range charge-density-wave order. Accurately describing this…

Strongly Correlated Electrons · Physics 2026-02-04 Sankha Subhra Bakshi , Yunhao Fan , Gia-Wei Chern

A new model of nonlinear charged quantum relativistic fluids is presented. This model can be discretized into Discrete Time Quantum Walks (DTQWs), and a new hybrid (quantum-classical) algorithm for implementing these walks on NISQ devices…

Nonadiabatic molecular dynamics (NAMD) is widely used to describe hot electron relaxation and nonradiative recombination processes, but high computational costs limit its application to large supercells. Here, we implement a nonadiabatic…

Chemical Physics · Physics 2026-05-26 Xiaoke He , Hsiao-Yi Tsai , Ziwei Chai , Junwen Yin , Zhongfei Xu , Li-Min Liu

We present a phase-space noncommutative version of quantum mechanics and apply this extension to Quantum Cosmology. We motivate this type of noncommutative algebra through the gravitational quantum well (GQW) where the noncommutativity…

High Energy Physics - Theory · Physics 2015-05-13 Catarina Bastos , Orfeu Bertolami , Nuno Dias , Joao Nuno Prata

Wigner functions, allowing for a reformulation of quantum mechanics in phase space, are of central importance for the study of the quantum-classical transition. A full understanding of the quantum-classical transition, however, also…

Quantum Physics · Physics 2021-12-21 Michael te Vrugt , Gyula I. Tóth , Raphael Wittkowski

We provide model reduction formulas for open quantum systems consisting of a target component which weakly interacts with a strongly dissipative environment. The time-scale separation between the uncoupled dynamics and the interaction…

We present a formulation of quantum molecular dynamics that includes electron correlation effects via the Gutzwiller method. Our new scheme enables the study of the dynamical behavior of atoms and molecules with strong electron…

Strongly Correlated Electrons · Physics 2017-06-05 Gia-Wei Chern , Kipton Barros , Cristian D. Batista , Joel D. Kress , Gabriel Kotliar

WiFi-based gesture recognition has emerged as a promising RF sensing paradigm for enabling non-contact and privacy-preserving human-computer interaction in AIoT environments. However, existing methods often suffer from limited…

Computer Vision and Pattern Recognition · Computer Science 2026-01-27 Feng-Qi Cui , Yu-Tong Guo , Tianyue Zheng , Jinyang Huang

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…

Chemical Physics · Physics 2016-04-26 Alexander Humeniuk , Roland Mitric

A branching random walk algorithm for the many-body Wigner equation and its numerical applications for quantum dynamics in phase space are proposed and analyzed. After introducing an auxiliary function, the (truncated) Wigner equation is…

Computational Physics · Physics 2019-06-04 Sihong Shao , Yunfeng Xiong

We propose to measure nonadiabaticity of molecular quantum dynamics rigorously with the quantum fidelity between the Born-Oppenheimer and fully nonadiabatic dynamics. It is shown that this measure of nonadiabaticity applies in situations…

Chemical Physics · Physics 2012-06-28 Tomas Zimmermann , Jiri Vanicek

We study the phase-space representation of dynamics of bosons in the semiclassical regime where the occupation number of the modes is large. To this end, we employ the van Vleck-Gutzwiller propagator to obtain an approximation for the…

Quantum Gases · Physics 2019-09-04 Ranchu Mathew , Eite Tiesinga

Artificial classical wave systems such as wave crystals and metamaterials have demonstrated promising capabilities in simulating a wide range of quantum mechanical phenomena. Yet some gaps between quantum and classical worlds are generally…

Classical Physics · Physics 2025-07-11 Congwei Lu , Xulong Wang , Guancong Ma

In this work, we simulate the electron dynamics in molecular systems with the Time-Dependent Density Matrix Renormalization Group (TD-DMRG) algorithm. We leverage the generality of the so-called tangent-space TD-DMRG formulation and design…

Chemical Physics · Physics 2021-06-08 Alberto Baiardi
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