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Mixed-quantum-classical molecular dynamics simulation implies an effective measurement on the electronic states owing to continuously tracking the atomic forces.Based on this insight, we propose a quantum trajectory mean-field approach for…

Chemical Physics · Physics 2014-08-08 Wei Feng , Luting Xu , Xin-Qi Li , Weihai Fang , YiJing Yan

We study the zero-temperature phase diagram of the half-filled one-dimensional ionic Hubbard model. This model is governed by the interplay of the on-site Coulomb repulsion and an alternating one-particle potential. Various many-body energy…

Strongly Correlated Electrons · Physics 2009-11-10 S. R. Manmana , V. Meden , R. M. Noack , K. Schoenhammer

In this paper, we consider the Einstein-Maxwell-dilaton holographic model for light quarks with nonzero magnetic field and chemical potential. First, we study the phase diagrams in $T-\mu$ and $T-B$ planes. We observe inverse magnetic…

High Energy Physics - Phenomenology · Physics 2024-09-16 Zhou-Run Zhu , Defu Hou

At zero temperature, two-site dynamical mean field theory is applied to the Dynamic Hubbard model. The Dynamic Hubbard model describes the orbital relaxation that occurs when two electrons occupy the same site, by using a two-level boson…

Strongly Correlated Electrons · Physics 2010-12-16 G. Bach , J. E. Hirsch , F. Marsiglio

Understanding the dynamics of open quantum systems in strong coupling and non-Markovian regimes remains a formidable theoretical challenge. One popular and well-established method of approximation in these circumstances is provided by the…

Quantum Physics · Physics 2024-07-16 Jake Iles-Smith , Owen Diba , Ahsan Nazir

With recent developments in simulating nonadiabatic systems to high accuracy, it has become possible to determine how much energy is attributed to nuclear quantum effects beyond zero-point energy. In this work we calculate the…

Chemical Physics · Physics 2016-08-23 Yubo Yang , Ilkka Kylanpaa , Norm Tubman , Jaron Krogel , Sharon Hammes-Schiffer , David Ceperley

It is argued that, for strongly non-linear behaviors, a fully deterministic position can hardly be maintained in the micro-macro transitions. This is due to the lack of information on the relevant boundary conditions, and to the tendency of…

Classical Physics · Physics 2007-05-23 Mayeul Arminjon , Didier Imbault

A numerical code is described for constructing Doppler maps from the orbital variation of line profiles of (mass transfering) binaries. It uses an algorithm related to Richardson-Lucy iteration, and is much faster than the standard…

Astrophysics · Physics 2007-05-23 H. C. Spruit

We derive an explicit expression for the functional derivative of the subleading term in the strong interaction limit expansion of the generalized Levy--Lieb functional for the special case of two electrons in one dimension. The expression…

Chemical Physics · Physics 2019-06-07 Juri Grossi , Michael Seidl , Paola Gori-Giorgi , Klaas J. H. Giesbertz

The weak energy condition is known to fail in general when applied to expectation values of the the energy momentum tensor in flat space quantum field theory. It is shown how the usual counter arguments against its validity are no longer…

High Energy Physics - Theory · Physics 2009-10-30 J. I. Latorre , H. Osborn

We obtain new types of exponential decay laws for solutions of density-matrix master equations in the weak-coupling limit: after comparing with results already present in the literature and developing the necessary techniques, we study the…

Quantum Physics · Physics 2015-05-13 David Taj , Fausto Rossi

The Free Energy Principle (FEP) states that under suitable conditions of weak coupling, random dynamical systems with sufficient degrees of freedom will behave so as to minimize an upper bound, formalized as a variational free energy, on…

Quantum Physics · Physics 2022-07-21 Chris Fields , Karl Friston , James F. Glazebrook , Michael Levin

The minimum free-energy path (MFEP) is the most probable route of the nucleation process on the multidimensional free-energy surface. In this study, the phase-field equation is used as a mathematical tool to deduce the minimum free-energy…

Materials Science · Physics 2015-05-13 Masao Iwamatsu

Complex and nonlinear dynamical systems often involve parameters that change with time, accurate tracking of which is essential to tasks such as state estimation, prediction, and control. Existing machine-learning methods require full state…

Machine Learning · Computer Science 2023-11-16 Zheng-Meng Zhai , Mohammadamin Moradi , Bryan Glaz , Mulugeta Haile , Ying-Cheng Lai

The quantum thermal bath (QTB) has been presented as analternative to path-integral-based methods to introduce nuclear quantumeffects in molecular dynamics simulations. The method has proved to beefficient, yielding accurate results for…

Statistical Mechanics · Physics 2016-11-28 Fabien Brieuc , Yael Bronstein , Hichem Dammak , Philippe Depondt , Fabio Finocchi , Marc Hayoun

The metriplectic formalism is useful for describing complete dynamical systems which conserve energy and produce entropy. This creates challenges for model reduction, as the elimination of high-frequency information will generally not…

Numerical Analysis · Mathematics 2022-12-28 Anthony Gruber , Max Gunzburger , Lili Ju , Zhu Wang

In a scheme of nonadiabatic purely geometric quantum gates in nuclear magnetic resonance(NMR) systems we propose proper magnitudes of magnetic fields that are suitable for an experiment. We impose a natural condition and reduce the degree…

Quantum Physics · Physics 2009-11-10 Kazuto Oshima , Koji Azuma

We discuss the emergence of nonadiabatic behavior in the dynamics of the order parameter in a low-dimensional quantum many-body system subject to a linear ramp of one of its parameters. While performing a ramp within a gapped phase seems to…

Statistical Mechanics · Physics 2014-09-25 Anna Maraga , Pietro Smacchia , Michele Fabrizio , Alessandro Silva

Direct dynamics methods using Gaussian wavepackets have to rely only on local properties, such as gradients and hessians at the center of the wavepacket, so as to be compatible with the usual quantum chemistry methods. Matrix elements of…

Chemical Physics · Physics 2016-04-26 Alexander Humeniuk , Roland Mitric

The phase diagram of the attractive Hubbard model with spatially inhomogeneous interactions is obtained using a single site dynamical mean field theory like approach. The model is characterized by three parameters: the interaction strength,…

Superconductivity · Physics 2009-11-13 Vijay B. Shenoy