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A class of causal effect functionals requires integration over conditional densities of continuous variables, as in mediation effects and nonparametric identification in causal graphical models. Estimating such densities and evaluating the…

Methodology · Statistics 2026-02-26 Xiaxian Ou , Razieh Nabi

We use linear response theory to derive both the non-dissipative and dissipative effects of spin polarization for massive and massless interacting spin 1/2 particles in a relativistic fluid. We list and classify all the possible…

Nuclear Theory · Physics 2025-07-29 Matteo Buzzegoli

We discuss subtleties in the calculation of loop integrals in studies of hot and dense systems as they appear in both perturbative and non-perturbative approaches. To be specific, we address subtleties which appear in situations where the…

Nuclear Theory · Physics 2025-01-29 Sebastian Töpfel , Andreas Geißel , Jens Braun

We introduce a method to carry out zero-temperature calculations within density functional theory (DFT) but without relying on the Born-Oppenheimer (BO) approximation for the ionic motion. Our approach is based on the finite-temperature…

Materials Science · Physics 2018-11-21 Grigory Kolesov , Efthimios Kaxiras , Efstratios Manousakis

We derive from first principles the Kubo formulas for the stress-stress response function at zero wavevector that can be used to define the full complex frequency-dependent viscosity tensor, both with and without a uniform magnetic field.…

Statistical Mechanics · Physics 2013-05-30 Barry Bradlyn , Moshe Goldstein , N. Read

In this expository article, we present a systematic formal derivation of the Kubo formula for the linear-response current due to a time-harmonic electric field applied to non-interacting, spinless charged particles in a finite volume in the…

Mathematical Physics · Physics 2023-08-15 Alexander B. Watson , Dionisios Margetis , Mitchell Luskin

For the case of finite life-time broadening the standard Kubo-formula for the optical conductivity tensor is rederived in terms of Green's functions by using contour integrations, whereby finite temperatures are accounted for by using the…

Materials Science · Physics 2009-10-31 Laszlo Szunyogh , Peter Weinberger

Employing the linear response Kubo formalism as implemented in a fully relativistic multiple-scattering Korringa-Kohn-Rostoker Green function method a systematic first-principles study based on density-functional theory (DFT) of the…

Materials Science · Physics 2012-11-06 Diemo Ködderitzsch , Kristina Chadova , Ján Minár , Hubert Ebert

Based on the framework of Kubo formulism, we develop the minimally entangled typical thermal state algorithm to study the temperature and time dependence of current-current correlation function in one-dimensional spinless fermion model,…

Strongly Correlated Electrons · Physics 2012-06-21 Yao Yao , Yiqiang Zhan , Xiaoyuan Hou , Chang-Qin Wu

Molecular Density Functional Theory (MDFT) offers an efficient implicit- solvent method to estimate molecule solvation free-energies whereas conserving a fully molecular representation of the solvent. Even within a second order ap-…

Soft Condensed Matter · Physics 2014-06-12 Volodymyr P. Sergiievskyi , Guillaume Jeanmairet , Maximilien Levesque , Daniel Borgis

We develop the first order gradient correction to the exchange-correlation free energy of the homogeneous electron gas for use in finite temperature density functional calculations. Based on this we propose and implement a simple…

Computational Physics · Physics 2015-06-22 Travis Sjostrom , Jerome Daligault

We discuss a method to calculate with quantum molecular dynamics simulations the rate of energy exchanges between electrons and ions in two-temperature plasmas, liquid metals and hot solids. Promising results from this method were recently…

Computational Physics · Physics 2020-02-05 Jacopo Simoni , Jérôme Daligault

Accurate prediction of electron transport coefficients is crucial for understanding warm dense matter. Utilizing the density functional theory (DFT) with the Kubo-Greenwood formula is widely used to evaluate the electrical and thermal…

Materials Science · Physics 2024-02-27 Qianrui Liu , Mohan Chen

We consider two-component fermions with a zero-range interaction both in two and three dimensions and calculate the bulk viscosity for an arbitrary scattering length in the high-temperature regime. We evaluate the Kubo formula for the bulk…

Quantum Gases · Physics 2023-04-13 Keisuke Fujii , Tilman Enss

The formalism developed in Refs.~\cite{Guo:2023ecc,Guo:2024zal,Guo:2024pvt} that relates the integrated correlation functions for a trapped system to the infinite volume scattering phase shifts through a weighted integral is further…

High Energy Physics - Lattice · Physics 2025-07-04 Peng Guo , Frank X. Lee

Sum rules for linear response functions give powerful and experimentally-relevant relations between frequency moments of response functions and ground state properties. In particular, renewed interest has been drawn to optical conductivity…

Mesoscale and Nanoscale Physics · Physics 2025-03-19 Barry Bradlyn , Peter Abbamonte

We consider an electron in a localized potential submitted to a weak external, timedependent field. In the linear response regime, the response function can be computed using Kubo's formula. In this paper, we consider the numerical…

Analysis of PDEs · Mathematics 2021-02-22 Mi-Song Dupuy , Antoine Levitt

Accurate simulations of thermalization in open quantum systems require a reliable representation of the bath correlation function (BCF). Numerical approaches, such as the hierarchical equations of motion and the pseudomode method,…

Quantum Physics · Physics 2025-11-26 Masaaki Tokieda

Recently we have developed a theory of Keldysh formalism for mesoscopic systems. The resulting nonequilibrium Kubo formula for differential conductance makes it possible to propose the new formula of shot noise $S_h$, and thus to study shot…

Mesoscale and Nanoscale Physics · Physics 2008-07-31 Tatsuya Fujii

The bulk viscosity of two-component fermions with a zero-range interaction is revisited both in two and three dimensions. We first point out that the "standard" Kubo formula employed in recent studies has flaws to give rise to an unphysical…

Quantum Gases · Physics 2020-08-13 Keisuke Fujii , Yusuke Nishida