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Related papers: On the "Causality Paradox" of Time-Dependent Densi…

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Density Functional Theory has long struggled to obtain the exact exchange-correlational (XC) functional. Numerous approximations have been designed with the hope of achieving chemical accuracy. However, designing a functional involves…

Chemical Physics · Physics 2025-03-10 Aditi Singh , Eduardo Fabiano , Szymon Śmiga

Bell's [Physics 1 (1964) 195-200] theorem is popularly supposed to establish the nonlocality of quantum physics. Violation of Bell's inequality in experiments such as that of Aspect, Dalibard and Roger [Phys. Rev. Lett. 49 (1982) 1804-1807]…

Applications · Statistics 2015-02-02 Richard D. Gill

Computational analysis of time-course data with an underlying causal structure is needed in a variety of domains, including neural spike trains, stock price movements, and gene expression levels. However, it can be challenging to determine…

Artificial Intelligence · Computer Science 2012-05-14 Samantha Kleinberg , Bud Mishra

Theorems (most notably by Hegerfeldt) prove that an initially localized particle whose time evolution is determined by a positive Hamiltonian will violate causality. We argue that this apparent paradox is resolved for a free particle…

Quantum Physics · Physics 2009-11-07 N. Barat , J. C. Kimball

A causal rate distortion function is defined, its solution is described, and its relation to filtering theory is discussed. The relation to filtering is obtained via a causal constraint imposed on the reconstruction kernel to be realizable.

Information Theory · Computer Science 2012-06-07 Photios A. Stavrou , Charalambos D. Charalambous

The principle called information causality has been used to deduce Tsirelson's bound. In this paper we derive information causality from monotonicity of divergence and relate it to more basic principles related to measurements on…

Quantum Physics · Physics 2020-02-10 Peter Harremoës

We present a density functional scheme for calculating the pair density (PD) by means of the correlated wave function. This scheme is free from both of problems related to PD functional theory, i.e., (a) the need to constrain the…

Strongly Correlated Electrons · Physics 2015-06-25 Masahiko Higuchi , Katsuhiko Higuchi

We study theoretically the influence of Berry phase on the real-time dynamics of the single particle focusing on the diffusive dynamics, i.e., the time-dependence of the distribution function. Our model can be applied to the real-time…

Mesoscale and Nanoscale Physics · Physics 2018-02-14 Kou Misaki , Seiji Miyashita , Naoto Nagaosa

The formalism of density functional theory (DFT) can be easily extended to the time dependent case (TDDFT). However, while in the static case the theory is well established and is expected to be, at least in principle, an exact approach for…

Condensed Matter · Physics 2007-05-23 Sandro Stringari

In this work we investigate the functional differentiability of the time-dependent many-body wave function and of derived quantities with respect to time-dependent potentials. For properly chosen Banach spaces of potentials and wave…

Mathematical Physics · Physics 2015-04-20 Markus Penz , Michael Ruggenthaler

The van Leeuwen proof of linear-response time-dependent density functional theory (TDDFT) is generalized to thermal ensembles. This allows generalization to finite temperatures of the Gross-Kohn relation, the exchange-correlation kernel of…

Chemical Physics · Physics 2016-06-15 Aurora Pribram-Jones , Paul E. Grabowski , Kieron Burke

This article presents the most interesting philosophical issues as they arise in causal set theory. The first concerns the apparent disappearance of spacetime at the fundamental level. It shows how the looming empirical incoherence is…

History and Philosophy of Physics · Physics 2023-08-11 Christian Wüthrich

As density functional theory conventionally assumes that the density of a chosen model system (e.g., the Kohn-Sham system) is the same as the exact one, one might expect that approximations to the exact density introduce supplementary…

Chemical Physics · Physics 2009-02-17 A. Savin

After revealing difficulties of the standard time-dependent perturbation theory in quantum mechanics mainly from the viewpoint of practical calculation, we propose a new quasi-canonical perturbation theory. In the new theory, the dynamics…

Quantum Physics · Physics 2007-05-23 C. Y. Chen

A review of the approximations in any time-dependent density functional calculation of excitation energies is given. The single-pole approximation for the susceptibility is used to understand errors in popular approximations for the…

Materials Science · Physics 2007-05-23 Kieron Burke , Martin Petersilka , E. K. U. Gross

Time-dependent density-functional theory (TDDFT) is a powerful tool to study the non-equilibrium dynamics of inhomogeneous interacting many-body systems. Here we show that the simple adiabatic local-spin-density approximation for the…

Strongly Correlated Electrons · Physics 2008-11-11 Wei Li , Gao Xianlong , Corinna Kollath , Marco Polini

In this paper we consider a claim that in the natural world there is no fact of the matter about the spatio-temporal separation of events. In order to make sense of such a notion and construct useful models of the world, it is proposed to…

Neurons and Cognition · Quantitative Biology 2024-04-18 Bartosz Jura

We propose an alternative theory for the relaxation of density fluctuations in glass-forming fluids. We derive an equation of motion for the density correlation function which is local in time and is similar in spirit to the equation of…

Soft Condensed Matter · Physics 2022-06-01 Grzegorz Szamel

We consider the effect of temporal aggregation on instantaneous (non-temporal) causal discovery in general setting. This is motivated by the observation that the true causal time lag is often considerably shorter than the observational…

Machine Learning · Statistics 2024-09-11 Shunxing Fan , Mingming Gong , Kun Zhang

We consider the electrons of a molecule in the adiabatic time-dependent density functional theory approximation. We establish the well-posedness of the time evolution and its linear response close to a non-degenerate ground state, and prove…

Analysis of PDEs · Mathematics 2024-09-19 Mi-Song Dupuy , Eloïse Letournel , Antoine Levitt
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