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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…

Statistical Mechanics · Physics 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…

Materials Science · Physics 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…

Quantum Physics · Physics 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…

Statistical Mechanics · Physics 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…

Statistical Mechanics · Physics 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…

Statistical Mechanics · Physics 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…

Quantum Physics · Physics 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…

Quantum Physics · Physics 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…

Numerical Analysis · Mathematics 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…

Quantum Physics · Physics 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…

Strongly Correlated Electrons · Physics 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…

Quantum Physics · Physics 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.…

Chaotic Dynamics · Physics 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…

Statistical Mechanics · Physics 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…

Quantum Physics · Physics 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…

General Mathematics · Mathematics 2015-04-29 Tokiniaina Ranaivoson , Raoelina Andriambololona , Rakotoson Hanitriarivo

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…

Statistical Mechanics · Physics 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…

Quantum Physics · Physics 2023-07-12 Edwin Ng , Ryotatsu Yanagimoto , Marc Jankowski , M. M. Fejer , Hideo Mabuchi