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We develop a method to fit high-temperature Gibbs free energy data for the development of interatomic potentials for atomic systems. The approach is based on Hamiltonian thermodynamic integration, enabling the identification of suitable…

Materials Science · Physics 2026-03-04 Liangrui Wei , Yang Sun

We explore thermodynamic relations in non-equilibrium steady states with numerical experiments on a driven lattice gas. After operationally defining the pressure and chemical potential in the driven lattice gas, we confirm numerically the…

Statistical Mechanics · Physics 2009-11-07 Kumiko Hayashi , Shin-ichi Sasa

We compute the lattice-dynamical and thermal equation of state properties of ferromagnetic bcc iron using the first principles linear response linear-muffin-tin-orbital method in the generalized-gradient approximation. The calculated phonon…

Materials Science · Physics 2009-11-11 Xianwei Sha , R. E. Cohen

We describe some exact high-energy properties of a single Anderson impurity connected to two noninteracting leads in a nonequilibrium steady state. In the limit of high bias voltages, and also in the high-temperature limit at thermal…

Mesoscale and Nanoscale Physics · Physics 2013-10-21 Akira Oguri , Rui Sakano

We consider a one-dimensional gas of spin-1/2 fermions interacting through $\delta$-function repulsive potential of an arbitrary strength. For the case of all fermions but one having spin up, we calculate time-dependent two-point…

Mathematical Physics · Physics 2015-01-21 O. Gamayun , A. G. Pronko , M. B. Zvonarev

We investigate thermodynamic properties of quantum electrodynamics in 1+1 dimensions (QED$_{1+1}$) utilizing light front dynamics. Therefore we derive the partition function of the canonical ensemble in discrete light cone quantization, and…

High Energy Physics - Theory · Physics 2008-11-26 S. Strauss , M. Beyer

A generalization of symmetrized density matrices in combination with the technique of generating functions allows to calculate the partition function of identical particles in a parabolic confining well. Harmonic two-body interactions…

Condensed Matter · Physics 2009-10-28 F. Brosens , J. T. Devreese , L. F. Lemmens

A general formulation of the equilibrium state of a many-electron system in terms of a (mixed-state, ensemble) density matrix operator in the Fock space, based on the maximum entropy principle, is introduced. Various characteristic…

Chemical Physics · Physics 2013-10-28 Robert Balawender , Andrzej Holas

In this article we derive the lattice Green Functions (GFs) of graphene using a Tight Binding Hamiltonian incorporating both first and second nearest neighbour hoppings and allowing for a non-orthogonal electron wavefunction overlap. It is…

Mesoscale and Nanoscale Physics · Physics 2015-06-23 James A. Lawlor , Mauro S. Ferreira

I summarize recent lattice results on QCD at finite temperatures and densities. Studies on the nature of the QCD transition at the physical point, continuum extra polations of thermodynamic quantities, and new calculations of hadronic…

High Energy Physics - Phenomenology · Physics 2009-11-07 Kazuyuki Kanaya

We present a spin-rotation-invariant Green-function theory for the dynamic spin susceptibility in the spin-1/2 antiferromagnetic Heisenberg model on a stacked honeycomb lattice. Employing a generalized mean-field approximation for arbitrary…

Strongly Correlated Electrons · Physics 2017-03-27 A. A. Vladimirov , D. Ihle , N. M. Plakida

Flexible boundary condition methods couple an isolated defect to a harmonically responding medium through the bulk lattice Green's function; in the case of an interface, interfacial lattice Green's functions. We present a method to compute…

Materials Science · Physics 2013-05-29 M. Ghazisaeidi , D. R. Trinkle

Diagrammatic approach proposed many years ago for strong correlated Hubbard model is developed for analyzing of the thermodynamic potential properties. The new exact relation between such renormalized quantities as thermodynamic potential,…

Strongly Correlated Electrons · Physics 2015-05-14 V. A. Moskalenko , L. A. Dohotaru , I. D. Cebotari

In this paper, we summarize the technique of using Green functions to solve electrostatic problems. We start by deriving the electric potential in terms of a Green function and a charge distribution. We then provide a variety of example…

Classical Physics · Physics 2022-04-29 Y. F. Alam , A. Behne , W. S. Chisholm , J. Compton

On the basis of the Luttinger-Ward formalism for the thermodynamic potential, the specific heat of single-component interacting fermion systems with fixed chemical potential is compactly expressed in terms of the fully renormalized…

Strongly Correlated Electrons · Physics 2015-08-19 Kazumasa Miyake , Atsushi Tsuruta

We calculate the free energy density of the two dimensional O(3) non linear sigma model over a large temperature region. At high temperatures the calculations could be done by perturbation theory whereas in the low temperature regime we…

High Energy Physics - Lattice · Physics 2009-10-28 S. P. Spiegel

Due to technological needs, nanoscale heat management, energy conversion and quantum thermodynamics have become key areas of research, putting heat pumps and nanomotors center stage. The treatment of these particular systems often requires…

Mesoscale and Nanoscale Physics · Physics 2024-04-26 Sebastián E. Deghi , Raúl A. Bustos-Marún

We develop Green's function formalism to describe continuous multi-layered quasi-one-dimensional setups described by piece-wise constant single-particle Hamiltonians. The Hamiltonians of the individual layers are assumed to be quadratic…

Mesoscale and Nanoscale Physics · Physics 2023-11-28 Kiryl Piasotski , Mikhail Pletyukhov , Alexander Shnirman

The equations for the spontaneous magnetization for different three-dimensional lattices have been derived in a heuristic manner. The estimated critical temperatures for simple cubic, face-centered cubic, body-centered cubic and diamond…

Statistical Mechanics · Physics 2024-06-14 M V Vismaya , M V Sangaranarayanan

The square integrable basis set representation of the resolvent of the asymptotic three-body Coulomb wave operator in parabolic coordinates is obtained. The resulting six-dimensional Green's function matrix is expressed as a convolution…

Mathematical Physics · Physics 2009-11-13 S. A. Zaytsev