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Self-diffusion coefficients, $D^*$, are routinely estimated from molecular dynamics simulations by fitting a linear model to the observed mean-squared displacements (MSDs) of mobile species. MSDs derived from simulation exhibit statistical…

统计力学 · 物理学 2026-01-05 Andrew R. McCluskey , Samuel W. Coles , Benjamin J. Morgan

Time-dependent density-functional theory (TDDFT) is a computationally efficient first-principles approach for calculating optical spectra in insulators and semiconductors, including excitonic effects. We show how exciton wave functions can…

材料科学 · 物理学 2020-12-29 Jared R. Williams , Nicolas Tancogne-Dejean , Carsten A. Ullrich

A strategy is developed for writing the time-dependent Schr\"{o}dinger Equation (TDSE), and more generally the Dyson Series, as a convolution equation using recursive Fourier transforms, thereby decoupling the second-order integral from the…

量子物理 · 物理学 2024-06-27 Sky Nelson-Isaacs

Descriptions of molecular systems usually refer to two distinct theoretical frameworks. On the one hand the quantum pure state, i.e. the wavefunction, of an isolated system which is determined to calculate molecular properties and to…

统计力学 · 物理学 2011-03-17 Barbara Fresch , Giorgio J. Moro

Frequency-filtered photon correlations have been proven to be extremely useful in grasping how the detection process alters photon statistics. Harnessing the spectral correlations also permits refinement of the emission and unraveling of…

Diffusion is an ubiquitous phenomenon. It is a widespread belief that as long as the area under a current autocorrelation function converges in time, the corresponding spatiotemporal density dynamics should be diffusive. This may be viewed…

统计力学 · 物理学 2025-07-04 Scott D. Linz , Jiaozi Wang , Robin Steinigeweg , Jochen Gemmer

We investigate quantum persistence by analyzing amplitude and phase fluctuations of the wave function governed by the time-dependent free-particle Schr\"odinger equation. The quantum system is initialized with local random uncorrelated…

统计力学 · 物理学 2025-05-09 Cheng Ma , Omar Malik , G. Korniss

The intensity of the overlap of a quantum state with all its phase space translations defines its quantum correlations. In the case of pure states, these are invariant with respect to Fourier transformation. The overlaps themselves are here…

量子物理 · 物理学 2009-11-10 Alfredo M. Ozorio de Almeida , Raul O. Vallejos , Marcos Saraceno

High-frequency phonons hold great promise as carriers of quantum information on-chip and as quantum memories. Due to their coherent interaction with several systems, their compact mode volume, and slow group velocity, multiple experiments…

Quantum state smoothing is a technique for assigning a valid quantum state to a partially observed dynamical system, using measurement records both prior and posterior to an estimation time. We show that the technique is greatly simplified…

量子物理 · 物理学 2025-09-09 Kiarn T. Laverick , Areeya Chantasri , Howard M. Wiseman

This article concerns second-order time discretization of subdiffusion equations with time-dependent diffusion coefficients. High-order differentiability and regularity estimates are established for subdiffusion equations with…

数值分析 · 数学 2020-06-05 Bangti Jin , Buyang Li , Zhi Zhou

Quantum discord is a more general measure of quantum correlations than entanglement and has been proposed as a resource in certain quantum information processing tasks. The computation of discord is mostly confined to two-qubit systems for…

量子物理 · 物理学 2015-06-05 Indrani Bose , Amit Kumar Pal

Quantum phase transition in the one-dimensional period-two and uniform quantum compass model are studied by using the pseudo-spin transformation method and the trace map method. The exact solutions are presented, the fidelity, the…

强关联电子 · 物理学 2009-11-13 Ke-Wei Sun , Yu-Yu Zhang , Qing-Hu Chen

We study the resonances of the quantum kicked rotor subjected to an excitation that follows a deterministic time-dependent prescription. For the primary resonances we find an analytical relation between the long-time behavior of the…

量子物理 · 物理学 2015-05-14 A. Romanelli , Guzmán Hernández

We discuss a general and efficient approach for "bootstrapping" short-time correlation data in chaotic or complex quantum systems to obtain information about long-time dynamics and stationary properties, such as the local density of states.…

混沌动力学 · 物理学 2009-08-14 L. Kaplan

We study the transport property of diffusion in a finite translationally invariant quantum subsystem described by a tight-binding Hamiltonian with a single energy band and interacting with its environment by a coupling in terms of…

统计力学 · 物理学 2010-03-01 Massimiliano Esposito , Pierre Gaspard

Quantum discord witnesses the nonclassicality of quantum states even when there is no entanglement in these quantum states. This type of quantum correlation also has some interesting and significant applications in quantum information…

量子物理 · 物理学 2015-05-19 Mazhar Ali

A method for time-frequency analysis is given. The approach utilizes properties of Gaussian distribution, properties of Hermite polynomials and Fourier analysis. We begin by the definitions of a set of functions called harmonic Gaussian…

The dynamics of a freely diffusing particle in a two-dimensional channel with cross sectional area $A(x)$, can be effectively described by a one-dimensional diffusion equation under the action of a potential of mean force $U(x)=-k_BT\ln…

统计力学 · 物理学 2019-02-28 Matan Sivan , Oded Farago

The propagation of ultrafast pulses in dispersion-engineered waveguides, exhibiting strong field confinement in both space and time, is a promising avenue towards single-photon nonlinearities in an all-optical platform. However, quantum…

量子物理 · 物理学 2023-07-12 Edwin Ng , Ryotatsu Yanagimoto , Marc Jankowski , M. M. Fejer , Hideo Mabuchi