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Correlation effects of an electron gas in an external potential are derived using an Effective Action functional method. Corrections beyond the random phase approximation (RPA) are naturally incorporated by this method. The Effective Action…

Materials Science · Physics 2009-11-10 A. Rebei , W. N. G. Hitchon

Higher-order perturbative calculations in Quantum (Field) Theory suffer from the factorial increase of the number of individual diagrams. Here I describe an approach which evaluates the total contribution numerically for finite temperature…

High Energy Physics - Theory · Physics 2017-08-23 R. Rosenfelder

Two difficulties associated with the computations of thermal vibrational correlation functions are discussed. The first one is the lack of a well-behaved expression that is valid at both high-temperature and $T \to 0$ K limits.…

Chemical Physics · Physics 2022-06-22 Rami Gherib , Scott N. Genin , Ilya G. Ryabinkin

We study the thermal and non-thermal steady state scaling functions and the steady-state dynamics of a model of local quantum criticality. The model we consider, i.e. the pseudogap Kondo model, allows us to study the concept of effective…

Strongly Correlated Electrons · Physics 2015-12-10 P. Ribeiro , F. Zamani , S. Kirchner

Implementation of orbital-free free-energy functionals in the Profess code and the coupling of Profess with the Quantum Espresso code are described. The combination enables orbital-free DFT to drive ab initio molecular dynamics simulations…

Materials Science · Physics 2014-11-24 Valentin V. Karasiev , Travis Sjostrom , S. B. Trickey

In the path integral formulation of the evolution of an open quantum system coupled to a Gaussian, non-interacting environment, the dynamical contribution of the latter is encoded in an object called the influence functional. Here, we…

Quantum Physics · Physics 2019-12-16 Mathias R. Jørgensen , Felix A. Pollock

DFT calculations have become widespread in both chemistry and materials, because they usually provide useful accuracy at much lower computational cost than wavefunction-based methods. All practical DFT calculations require an approximation…

Chemical Physics · Physics 2022-03-15 Eunji Sim , Suhwan Song , Stefan Vuckovic , Kieron Burke

We present a detailed study of the finite temperature dynamical properties of the quantum Potts model in one dimension.Quasiparticle excitations in this model have internal quantum numbers, and their scattering matrix {\gf deep} in the…

Strongly Correlated Electrons · Physics 2009-11-11 Akos Rapp , Gergely Zarand

Liquid simulations for computer animation often avoid simulating the air phase to reduce computational costs and ensure good conditioning of the linear systems required to enforce incompressibility. However, this free surface assumption…

Graphics · Computer Science 2017-12-01 Ryan Goldade , Christopher Batty

Diffusing-wave spectroscopy is a powerful technique which consists in measuring the temporal correlation function of the intensity of light multiply scattered by a medium. In this paper, we apply this technique to cold atoms under purely…

We examine the influence of the main approximations employed in density-functional theory descriptions of the solid phase of molecular hydrogen near dissociation. We consider the importance of nuclear quantum effects on equilibrium…

Materials Science · Physics 2015-06-15 M. A. Morales , J. M. McMahon , C. Pierleoni , D. M. Ceperley

A single band optical sum rule derived by Kubo can reveal a novel kind of superconducting state. It relies, however, on a knowledge of the single band contribution from zero to infinite frequency. A number of experiments over the past five…

Superconductivity · Physics 2009-11-13 F. Marsiglio , E. van Heumen , A. B. Kuzmenko

We present a systematic prescription for calculating cosmological correlation functions for models with derivative interactions through the wavefunction of the universe and compare this result with the "in-in" formalism -- canonical…

High Energy Physics - Theory · Physics 2022-07-06 Aliakbar Abolhasani , Harry Goodhew

The average of densities of currents and charges, induced by a weak electromagnetic field in spatially inhomogeneous are calculated at final temperatures. The Kubo formula for a conductivity tensor is generalized for spatially inhomogeneous…

Mesoscale and Nanoscale Physics · Physics 2009-11-10 S. T. Pavlov , I. G. Lang , L. I. Korovin

Accounting for dispersion interactions is essential in approximate density functional theory (DFT). Often, a correction potential based on the London formula is added, which is damped at short distances to avoid divergence and double…

Chemical Physics · Physics 2025-06-26 K. Nikolas Lausch , Redouan El Haouari , Daniel Trzewik , Jörg Behler

The method is proposed adapted for calculating the T=0 conductance of arbitrarily stretched disordered conducting strips in terms of the Kubo theory. The 2D scattering problem is solved through exact one-dimensionalization in mode…

Disordered Systems and Neural Networks · Physics 2009-10-31 Yu. V. Tarasov

We derive Kubo formulae for first-order spin hydrodynamics based on non-equilibrium statistical operators method. In first-order spin hydrodynamics, there are two new transport coefficients besides the ordinary ones appearing in first-order…

High Energy Physics - Phenomenology · Physics 2021-06-30 Jin Hu

Path integral molecular dynamics simulations, combined with an ab initio evaluation of interactions using electronic structure theory, incorporate the quantum mechanical nature of both the electrons and nuclei, which are essential to…

Chemical Physics · Physics 2016-02-15 Ondrej Marsalek , Thomas E. Markland

We revisit the interplay between superconductivity and quantum criticality when thermal effects from virtual static bosons are included. These contributions, which arise from an effective theory compactified on the thermal circle, strongly…

Strongly Correlated Electrons · Physics 2021-05-05 Jeremias Aguilera Damia , Mario Solis , Gonzalo Torroba

We compute the universal generic corrections to the power spectrum in slow-roll inflation due to unknown high-energy physics. We arrive at this result via a careful integrating out of massive fields in the "in-in" formalism yielding a…

High Energy Physics - Theory · Physics 2015-03-19 Mark G. Jackson , Koenraad Schalm
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