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Nuclear quantum effects play critical roles in a variety of molecular processes, especially in systems that contain hydrogen and other light nuclei, such as water. For water at ambient conditions, nuclear quantum effects are often…

Chemical Physics · Physics 2023-09-12 Richard C. Remsing

The moist shallow water equations offer a promising route for advancing understanding of the coupling of physical parametrisations and dynamics in numerical atmospheric models, an issue known as 'physics-dynamics coupling'. Without moist…

Numerical Analysis · Mathematics 2025-05-15 Nell Hartney , Thomas M. Bendall , Jemma Shipton

Understanding the electron dynamics and transport in metallic and semiconductor nanostructures -- such as metallic nanoparticles, thin films, quantum wells and quantum dots -- represents a considerable challenge for today's condensed matter…

Strongly Correlated Electrons · Physics 2008-10-20 G. Manfredi , P. -A. Hervieux , Y. Yin , N. Crouseilles

Various condensed phases of water, spanning from the liquid state to multiple ice phases, have been systematically investigated under extreme conditions of pressure and temperature to delineate their stability boundaries. This study focuses…

Chemical Physics · Physics 2024-05-29 Carlos P. Herrero , Rafael Ramirez

At its core, hydrodynamics is a many-body low-energy effective theory for the long-wavelength, long-timescale dynamics of conserved charges in systems close to thermodynamic equilibrium. It has a wide range of applications spanning from…

High Energy Physics - Theory · Physics 2024-08-22 Luca Martinoia

Of indisputable relevance for non-equilibrium thermodynamics, fluctuations theorems have been generalized to the framework of quantum thermodynamics, with the notion of work playing a key role in such contexts. The typical approach consists…

Quantum Physics · Physics 2023-06-28 Thales Augusto Barbosa Pinto Silva , Renato Moreira Angelo

An open quantum system refers to a system that is further coupled to a bath system consisting of surrounding radiation fields, atoms, molecules, or proteins. The bath system is typically modeled by an infinite number of harmonic…

Chemical Physics · Physics 2020-07-10 Yoshitaka Tanimura

Quantum embedding approaches involve the self-consistent optimization of a local fragment of a strongly correlated system, entangled with the wider environment. The `energy-weighted' density matrix embedding theory (EwDMET) was established…

Strongly Correlated Electrons · Physics 2021-02-23 P. V. Sriluckshmy , Max Nusspickel , Edoardo Fertitta , George H. Booth

A key objective in nuclear and high-energy physics is to describe nonequilibrium dynamics of matter, e.g., in the early universe and in particle colliders, starting from the Standard Model. Classical-computing methods, via the framework of…

Quantum Electrodynamics describes electromagnetic interactions of free muons and of muon and electron in the muonium atom to very high accuracy. Contributions of other and yet unknown interactions can be investigated in precision…

High Energy Physics - Experiment · Physics 2016-08-31 K. Jungmann

Electrohydrodynamics is a discipline that studies the interaction between fluid motion and electric field. Finite element method, finite difference method and other numerical simulations are effective numerical calculation methods for…

Numerical Analysis · Mathematics 2024-03-22 Li Conghui

Molecular rotation, vibration, internal rotation, isomerization, tunneling, intermolecular dynamics of weakly and strongly interacting systems, intra-to-inter-molecular energy transfer, hindered rotation and hindered translation over…

Chemical Physics · Physics 2022-12-02 Edit Mátyus , Alberto Martín Santa Daría , Gustavo Avila

We provide a pure state formulation for hydrodynamic dynamics of isolated quantum many-body systems. A pure state describing quantum systems in local thermal equilibrium is constructed, which we call a local thermal pure quantum ($\ell$TPQ)…

Statistical Mechanics · Physics 2021-07-06 Shoichiro Tsutsui , Masaru Hongo , Shintaro Sato , Takahiro Sagawa

Quantum hydrodynamics represents quantum mechanics through two complementary models: the Eulerian picture, a direct transcription of wave mechanics, and the Lagrangian picture, in which the quantum state is represented by the collective…

Quantum Physics · Physics 2014-10-07 Peter Holland

Electronic decoherence processes in molecules and materials are usually thought and modeled via schemes for the system-bath evolution in which the bath is treated either implicitly or approximately. Here we present computations of the…

Chemical Physics · Physics 2018-04-18 Wenxiang Hu , Bing Gu , Ignacio Franco

Hydrodynamics is a theory of long-range excitations controlled by equations of motion that encode the conservation of a set of currents (energy, momentum, charge, etc.) associated with explicitly realized global symmetries. If a system…

High Energy Physics - Theory · Physics 2019-04-24 Sašo Grozdanov , Andrew Lucas , Napat Poovuttikul

Entropic dynamics (ED) is a framework that allows one to derive quantum theory as a Hamilton-Killing flow on the cotangent bundle of a statistical manifold. These flows are such that they preserve the symplectic and the (information) metric…

Quantum Physics · Physics 2025-11-25 Ariel Caticha

The gauge invariant electromagnetic Wigner equation is taken as the basis for a fluid-like system describing quantum plasmas, derived from the moments of the gauge invariant Wigner function. The use of the standard, gauge dependent Wigner…

Quantum Physics · Physics 2015-05-14 F. Haas , J. Zamanian , M. Marklund , G. Brodin

Many-body quantum-mechanical stationary states that have real valued wavefunctions are shown to satisfy a classical conservation of energy equation with a kinetic energy function. The terms in the equation depend on the probability…

Atomic Physics · Physics 2021-07-23 James P. Finley

Quantum Chromodynamics, the microscopic theory of strong interactions, has not yet been applied to the calculation of nuclear wave functions. However, it certainly provokes a number of specific questions and suggests the existence of novel…

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