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This paper introduces ElecTra, an open-source code which solves the linearized Boltzmann transport equation in the relaxation time approximation for charge carriers in a full-band electronic structure of arbitrary complexity, including…

材料科学 · 物理学 2023-08-24 Patrizio Graziosi , Zhen Li , Neophytos Neophytou

A quantum critical (QC) fluid exhibits universal subleading corrections to the area law of its entanglement entropies. In two dimensions when the partition involves a corner of angle $\theta$, the subleading term is logarithmic with…

We consider a theoretical problem of electron-electron scattering time in a quasi-one-dimensional (Q1D) conductor in a magnetic field, perpendicular to its conducting axis. We show that inverse electron-electron scattering time becomes of…

强关联电子 · 物理学 2015-11-11 Andrei G. Lebed

The Tamm-Dancoff Approximation (TDA) offers a computationally efficient alternative to full linear-response Time-Dependent Density Functional Theory (TDDFT) for calculating electronic excited states, particularly in large molecular systems.…

化学物理 · 物理学 2025-07-02 Muhammed A. Dada , Sarah Pak , Matthew N. Ward , Megan Simons , Daniel R. Nascimento

Fluctuation-dissipation relations or "theorems" (FDTs) are fundamental for statistical physics and can be rigorously derived for equilibrium systems. Their applicability to non-equilibrium systems is, however, debated. Here, we simulate an…

统计力学 · 物理学 2021-09-15 Gerhard Jung , Friederike Schmid

We have investigated, in the frame work of the transport approach, different aspects of the QGP created in Heavy Ion Collisions at RHIC and LHC energies. The shear viscosity $\eta$ has been calculated by using the Green-Kubo relation at the…

高能物理 - 唯象学 · 物理学 2015-06-11 Salvatore Plumari , Armando Puglisi , Maria Colonna , Francesco Scardina , Vincenzo Greco

Realizing the potential for predictive density functional calculations of matter under extreme conditions depends crucially upon having an exchange-correlation (XC) free energy functional accurate over a wide range of state conditions.…

材料科学 · 物理学 2018-02-21 Valentin V. Karasiev , James W. Dufty , S. B. Trickey

We study slow collective motion at finite thermal excitations on the basis of linear response theory applied to the locally harmonic approximation. The transport coefficients for average motion, friction \gamma, inertia M and the local…

核理论 · 物理学 2009-10-30 Shuhei Yamaji , Fedor A. Ivanyuk , Helmut Hofmann

In this paper, we prove that the "conformal collider bounds" originally proposed by Hofman and Maldacena hold for any unitary parity-preserving conformal field theory (CFT) with a unique stress tensor in spacetime dimensions larger than 2.…

高能物理 - 理论 · 物理学 2016-09-13 Diego M. Hofman , Daliang Li , David Meltzer , David Poland , Fernando Rejon-Barrera

In numerous astrophysical scenarios, such as core-collapse supernovae and neutron star mergers, as in well as heavy-ion collision experiments, transitions between thermally populated nuclear excited states have been shown to play an…

核理论 · 物理学 2022-09-22 E. M. Ney , A. Ravlić , J. Engel , N. Paar

Present calculations of electrical transport properties of materials require evaluations of electron-phonon coupling constants on dense predefined grids of electron and phonon momenta and performing the sums over these momenta. In this…

材料科学 · 物理学 2025-03-26 Nenad Vukmirović

The dynamics of low energy electrons in general static strained graphene surface is modelled mathematically by the Dirac equation in curved space-time. In Cartesian coordinates, a parametrization of the surface can be straightforwardly…

计算物理 · 物理学 2021-01-27 F. Fillion-Gourdeau , E. Lorin , S. MacLean

Recent advances in stellarator optimization have found nearly precise quasisymmetric configurations. These are expected to reduce the non-turbulent background plasma transport to acceptable neoclassical levels while removing nearly all…

等离子体物理 · 物理学 2025-12-09 Miguel Calvo-Carrera , Peter J. Catto

The predictive accuracy of popular extensions to density-functional theory (DFT) such as DFT+U and DFT plus dynamical mean-field theory (DFT+DMFT) hinges on using realistic values for the screened Coulomb interaction U. Here, we present a…

强关联电子 · 物理学 2025-12-24 Alberto Carta , Iurii Timrov , Sophie Beck , Claude Ederer

The thermal radiative transfer (TRT) equations form an integro-differential system that describes the propagation and collisional interactions of photons. Computing accurate and efficient numerical solutions TRT are challenging for several…

数值分析 · 数学 2021-11-09 Ryan G. McClarren , James A. Rossmanith , Minwoo Shin

We present a readily computable semi-analytic Layer Response Theory (LRT) for analysis of cohesive energetics involving two-dimensional layers such as BN or graphene. The theory approximates the Random Phase Approximation (RPA) correlation…

材料科学 · 物理学 2016-05-04 John F. Dobson , Tim Gould , Sebastien Lebegue

It is shown that in $d$-dimensional systems, the vertex corrections beyond the random phase approximation (RPA) or GW approximation scales with the power $d-\beta-\alpha$ of the Fermi momentum if the relation between Fermi energy and Fermi…

强关联电子 · 物理学 2018-06-19 Klaus Morawetz , Vinod Ashokan , Renu Bala , Kare Narain Pathak

We report high-resolution Compton profiles (CP's) of Al along the three principal symmetry directions at a photon energy of 59.38 keV, together with corresponding highly accurate theoretical profiles obtained within the local-density…

材料科学 · 物理学 2009-10-31 T. Ohata , M. Itou , I. Matsumoto , Y. Sakurai , H. Kawata , N. Shiotani , S. Kaprzyk , P. E. Mijnarends , A. Bansil

We report on the progress of our study on the color-electric correlation functions under gradient flow on the lattice. This calculation is the first step of our long-term project to estimate a series of important transport coefficients, of…

高能物理 - 格点 · 物理学 2020-01-01 Luis Altenkort , Olaf Kaczmarek , Lukas Mazur , Hai-Tao Shu

We consider simulating quantum systems on digital quantum computers. We show that the performance of quantum simulation can be improved by simultaneously exploiting commutativity of the target Hamiltonian, sparsity of interactions, and…

量子物理 · 物理学 2021-07-06 Yuan Su , Hsin-Yuan Huang , Earl T. Campbell