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The high temperature many-body density matrix is fundamental to path integral computation. The pair approximation, where the interaction part is written as a product of pair density matrices, is commonly used and is accurate to order tau…

Materials Science · Physics 2009-04-29 B. Militzer

We consider a particle trapped by a generic external potential and under the influence of a quantum-thermal Ohmic bath. Starting from the Langevin equation, we derive the corresponding Schwinger-Keldysh action. Then, within the…

Statistical Mechanics · Physics 2023-09-21 Koichiro Furutani , Luca Salasnich

Based on the path integral representation of the partition function of a many body system with separable two body interaction we propose a systematic extension of the perturbed static path approximation (PSPA) to lower temperatures.…

Statistical Mechanics · Physics 2009-11-07 Christian Rummel , Joachim Ankerhold

The equations of time-dependent density functional theory are derived, via the expression for the quantum weak value, from ring polymer quantum theory using a symmetry between time and imaginary time. The imaginary time path integral…

Quantum Physics · Physics 2025-03-21 Russell B. Thompson , Zarin Tasneem , Yves Caudano

Operational quantum stochastic thermodynamics is a recently proposed theory to study the thermodynamics of open systems based on the rigorous notion of a quantum stochastic process or quantum causal model. In there, a stochastic trajectory…

Quantum Physics · Physics 2020-03-04 Philipp Strasberg

Employing the path integral approach, we calculate the semiclassical equilibrium density matrix of a particle moving in a nonlinear potential field for coordinates near the top of a potential barrier. As the temperature is decreased, near a…

Quantum Physics · Physics 2015-06-26 F. J. Weiper , J. Ankerhold , H. Grabert

In this article, we examine different approaches for calculating low frequency opacities in the warm dense matter regime. The relevance of the average-atom approximation and of different models for calculating opacities, such as the Ziman…

Plasma Physics · Physics 2025-04-04 Mikael Tacu , Jean-Christophe Pain , Matthias Pautard , Christophe Blancard

We describe a numerical algorithm for approximating the equilibrium-reduced density matrix and the effective (mean force) Hamiltonian for a set of system spins coupled strongly to a set of bath spins when the total system (system+bath) is…

Quantum Physics · Physics 2023-01-25 Tyler Chen , Yu-Chen Cheng

Mean-field molecular dynamics based on path integrals is used to approximate canonical quantum observables for particle systems consisting of nuclei and electrons. A computational bottleneck is the sampling from the Gibbs density of the…

Numerical Analysis · Mathematics 2023-11-30 Xin Huang , Petr Plechac , Mattias Sandberg , Anders Szepessy

We present and analyze the fermionic time evolving density matrix using orthogonal polynomials algorithm (fTEDOPA), which enables the numerically exact simulation of open quantum systems coupled to a fermionic environment. The method allows…

Quantum Physics · Physics 2020-05-08 Alexander Nüßeler , Ish Dhand , Susana F. Huelga , Martin B. Plenio

This article characterizes phase transitions in temperature within a specific space of H\"older continuous potentials, distinguished by their regularity and asymptotic behavior at zero. We also characterize the phase transitions in…

Dynamical Systems · Mathematics 2025-04-03 Daniel Coronel , Juan Rivera-Letelier

In a recent paper we have suggested that the finite temperature density matrix can be computed efficiently by a combination of polynomial expansion and iterative inversion techniques. We present here significant improvements over this…

Materials Science · Physics 2010-10-19 Michele Ceriotti , Thomas D. Kühne , Michele Parrinello

Expanding upon previous work, using the path-integral formalism we derive expressions for the one-particle reduced density matrix and the two-point correlation function for a quadratic system of bosons that interact through a general class…

Quantum Gases · Physics 2021-12-15 Timour Ichmoukhamedov , Jacques Tempere

To what extent do thermodynamic resource theories capture physically relevant constraints? Inspired by quantum computation, we define a set of elementary thermodynamic gates that only act on 2 energy levels of a system at a time. We show…

Quantum Physics · Physics 2018-02-13 Matteo Lostaglio , Álvaro M. Alhambra , Christopher Perry

We provide a unified method for obtaining upper bounds for certain functional integrals appearing in quantum mechanics and non-relativistic quantum field theory, functionals of the form $E\left[\exp(A_T)\right]$, the (effective) action…

Mathematical Physics · Physics 2015-12-29 Gonzalo A. Bley , Lawrence E. Thomas

A normal ordered exponential parametrization is used to obtain equations for thermal one-and two-particle reduced density matrices, as well as free energies, partition functions and entropy for both Fermionic (electronic) and Bosonic…

Quantum Physics · Physics 2022-01-12 Marcel Nooijen , Songhao Bao

We develop an energy density matrix that parallels the one-body reduced density matrix (1RDM) for many-body quantum systems. Just as the density matrix gives access to the number density and occupation numbers, the energy density matrix…

Strongly Correlated Electrons · Physics 2015-06-22 Jaron T. Krogel , Jeongnim Kim , Fernando A. Reboredo

Semiclassical Gaussian approximations to the Boltzmann operator have become an important tool for the investigation of thermodynamic properties of clusters of atoms at low temperatures. Usually, numerically expensive thawed Gaussian…

Chemical Physics · Physics 2011-01-26 Holger Cartarius , Eli Pollak

The simulation of quantum transport in a realistic, many-particle system is a nontrivial problem with no quantitatively satisfactory solution. While real-time propagation has the potential to overcome the shortcomings of conventional…

Mesoscale and Nanoscale Physics · Physics 2015-10-16 Justin E. Elenewski , Yanxiang Zhao , Hanning Chen

The stochastization of the Jacobi second equality of classical mechanics, by Gaussian white noises for the Lagrangian of a particle in an arbitrary field is considered. The quantum mechanical Hamilton operator similar to that in Euclidian…

Exactly Solvable and Integrable Systems · Physics 2007-05-23 M. Tchoffo , A. A. Belinson