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A general polarizable embedded (PE) quantum mechanics/molecular mechanics scheme for periodic systems is presented, describing mutual polarization of the two subsystems. The QM system, described with density functional theory (DFT), is…

Exciton dissociation via the excitonic Mott transition (EMT) governs the high-density optical response of semiconductors and sets fundamental limits for optoelectronic devices. The EMT is conventionally linked to the onset of population…

The generalized density matrix (GDM) method is used to calculate microscopically the parameters of the collective Hamiltonian. Higher order anharmonicities are obtained consistently with the lowest order results, the mean field…

Nuclear Theory · Physics 2011-09-23 L. Y. Jia

Embedded random matrix ensembles are generic models for describing statistical properties of finite isolated quantum many-particle systems. For the simplest spinless fermion (or boson) systems with say $m$ fermions (or bosons) in $N$ single…

Mathematical Physics · Physics 2015-06-23 V. K. B. Kota

We propose a Gaussian ensemble as a description of the long-time dynamics of isolated quantum integrable systems. Our approach extends the Generalized Gibbs Ensemble (GGE) by incorporating fluctuations of integrals of motion. It is…

Statistical Mechanics · Physics 2017-05-24 Hyungwon Kim , Anatoli Polkovnikov , Emil A. Yuzbashyan

Ultrafast multidimensional spectroscopies are powerful tools that can access charge and energy flow in complex materials, shifting chemical kinetics, and even many-body interactions in correlated matter. However, current implementations…

Electronic energy transfer in the condensed phase, such as that occurring in photosynthetic complexes, frequently occurs in regimes where the energy scales of the system and environment are similar. This situation provides a challenge to…

Statistical Mechanics · Physics 2015-06-03 Timothy C. Berkelbach , Thomas E. Markland , David R. Reichman

Dissipation and decoherence, and the evolution from pure to mixed states in quantum physics are handled through master equations for the density matrix. Master equations such as the Lindblad equation preserve the trace of this matrix.…

Quantum Physics · Physics 2009-11-10 A. R. P. Rau , Weichang Zhao

Bistable systems present two degenerate metastable configurations separated by an energy barrier. Thermal or quantum fluctuations can promote the transition between the configurations at a rate which depends on the dynamical properties of…

Statistical Mechanics · Physics 2018-07-23 L. Stella , H. Ness , C. D. Lorenz , L. Kantorovich

In this article, we discuss the continuous version of the generalized exchange-driven growth model which is a variant of the coagulation model in which a smaller size particle is detached from a bigger one and merges with another particle.…

Analysis of PDEs · Mathematics 2025-09-03 Prasanta K. Barik , Fernando P. da Costa , João T. Pinto , Rafael Sasportes

Master equations describe the quantum dynamics of open systems interacting with an environment. They play an increasingly important role in understanding the emergence of semiclassical behavior and the generation of entropy, both being…

Quantum Physics · Physics 2009-10-31 Hans-Thomas Elze

The idea that excitonic state (electronic) coherences are of fundamental importance to natural photosynthesis gained popularity when, a decade ago, slowly dephasing quantum beats were observed in the two-dimensional electronic spectra of…

We introduce generative models for accelerating simulations of complex systems through learning and evolving their effective dynamics. In the proposed Generative Learning of Effective Dynamics (G-LED), instances of high dimensional data are…

Machine Learning · Computer Science 2024-02-28 Han Gao , Sebastian Kaltenbach , Petros Koumoutsakos

In [1] a conjecture for the modular transformation of the free fermion generalised Gibbs ensemble (GGE) was given where only the KdV charge associated to the weight four quasi primary field was inserted. In this paper we first generalise…

High Energy Physics - Theory · Physics 2024-03-11 Max Downing

Generalised Mersenne Numbers (GMNs) were defined by Solinas in 1999 and feature in the NIST (FIPS 186-2) and SECG standards for use in elliptic curve cryptography. Their form is such that modular reduction is extremely efficient, thus…

Number Theory · Mathematics 2012-04-24 Robert Granger , Andrew Moss

Master equations are a vital tool to model heat flow through nanoscale thermodynamic systems. Most practical devices are made up of interacting sub-system, and are often modelled using either local master equations (LMEs) or global master…

Quantum Physics · Physics 2021-05-05 Stefano Scali , Janet Anders , Luis A. Correa

The aim of this article is relating the chemical master equation (CME) to the illness-death model for chronic diseases. We show that a recently developed differential equation for the prevalence directly follows from the CME. As an…

Biological Physics · Physics 2024-04-12 Ralph Brinks

The exact quantum dynamics of lattice models can be computationally intensive, especially when aiming for large system sizes and extended simulation times necessary to converge transport coefficients. By leveraging finite memory times to…

Chemical Physics · Physics 2024-11-14 Srijan Bhattacharyya , Thomas Sayer , Andrés Montoya-Castillo

Generalized Gibbs ensembles have been used as powerful tools to describe the steady state of integrable many-particle quantum systems after a sudden change of the Hamiltonian. Here we demonstrate numerically, that they can be used for a…

Strongly Correlated Electrons · Physics 2018-05-02 Florian Lange , Zala Lenarčič , Achim Rosch

We derive a master equation describing the evolution of a quantum system subjected to a sequence of observations. These measurements occur randomly at a given rate and can be of a very general form. As an example, we analyse the effects of…

Quantum Physics · Physics 2009-11-13 James D. Cresser , Stephen M. Barnett , John Jeffers , David T. Pegg