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A linear algebraic method named the shifted conjugate-orthogonal-conjugate-gradient method is introduced for large-scale electronic structure calculation. The method gives an iterative solver algorithm of the Green's function and the…

Materials Science · Physics 2007-05-23 R. Takayama , T. Hoshi , T. Sogabe , S. -L. Zhang , T. Fujiwara

The shear and bulk viscosities of gluon plasma are calculated by accumulating a large amount of data for the Matsubara Green function ($G_{\beta}(t_m)$) on isotropic $24^3 \times 8$ and $16^3 \times 8$ lattices. In the case of Iwasaki's…

High Energy Physics - Lattice · Physics 2009-11-13 Sunao Sakai Atsushi Nakamura

We present a massively parallel algorithm for calculating the self-energy in self-consistent finite temperature perturbation theory for lattice models. The algorithm uses analytic functions with appropriate asymptotic high frequency…

Condensed Matter · Physics 2007-05-23 J. J. Deisz , D. W. Hess , J. W. Serene

Lieb-Robinson-type bounds are reported for a large class of classical Hamiltonian lattice models. By a suitable rescaling of energy or time, such bounds can be constructed for interactions of arbitrarily long range. The bound quantifies the…

Statistical Mechanics · Physics 2014-05-30 David Métivier , Romain Bachelard , Michael Kastner

We present a numerically efficient technique to evaluate the Green's function for extended two dimensional systems without relying on periodic boundary conditions. Different regions of interest, or `patches', are connected using self energy…

Mesoscale and Nanoscale Physics · Physics 2015-06-23 Mikkel Settnes , Stephen R. Power , Jun Lin , Dirch H. Petersen , Antti-Pekka Jauho

We develop a model for an anti-plane crack defect posed on a square lattice under an interatomic pair-potential with nearest-neighbour interactions. In particular, we establish existence, local uniqueness and stability of solutions for…

Analysis of PDEs · Mathematics 2019-11-07 Maciej Buze , Thomas Hudson , Christoph Ortner

We give a systematic treatment of lattice Green functions (LGF) on the $d$-dimensional diamond, simple cubic, body-centred cubic and face-centred cubic lattices for arbitrary dimensionality $d \ge 2$ for the first three lattices, and for $2…

Mathematical Physics · Physics 2014-11-20 Anthony J Guttmann

We present a new method for calculating the Green functions for a lattice scalar field theory in $D$ dimensions with arbitrary potential $V(\phi)$. The method for non-perturbative evaluation of Green functions for $D \! = \! 1$ is…

High Energy Physics - Theory · Physics 2009-10-28 Y. Sumino

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

The formalism for exactly calculating the retarded and advanced Green's functions of strongly correlated lattice models in a uniform electric field is derived within dynamical mean-field theory. To illustrate the method, we solve for the…

Strongly Correlated Electrons · Physics 2009-07-09 A. V. Joura , J. K. Freericks , Th. Pruschke

Lattice calculations using the framework of effective field theory have been applied to a wide range few-body and many-body systems. One of the challenges of these calculations is to remove systematic errors arising from the nonzero lattice…

High Energy Physics - Lattice · Physics 2019-01-30 Nico Klein , Dean Lee , Ulf-G. Meißner

We derive formulas for the matrix elements of the lattice Green function for the discrete Poisson equation on an infinite square lattice. The partial difference equation for the matrix elements is solved by reducing it to a series of first…

Other Condensed Matter · Physics 2007-05-23 Stefan Hollos , Richard Hollos

We develop a general technique for computing functional integrals with fixed area and boundary length constraints. The correct quantum dimensions for the vertex functions are recovered by properly regularizing the Green function. Explicit…

High Energy Physics - Theory · Physics 2009-11-11 Pietro Menotti , Erik Tonni

The Green functions play a big role in the calculation of the local density of states of the carbon nanostructures. We investigate their nature for the variously oriented and disclinated graphene-like surface. Next, we investigate the case…

Mesoscale and Nanoscale Physics · Physics 2015-11-10 J. Smotlacha , R. Pincak , M. Pudlak

We present a unified framework for the calculation of defect energies for those defects that can be represented as a superposition of isolated dislocations, and obtain both self and interaction energies of combinations of grain boundaries…

Materials Science · Physics 2007-05-23 J. M. Rickman , J. Vinals , R. LeSar

Various fields such as mechanical engineering, materials science, etc., have seen a widespread use of linear elastic fracture mechanics (LEFM) at the continuum scale. LEFM is also routinely applied to the atomic scale. However, its…

Materials Science · Physics 2022-08-25 Tarakeshwar Lakshmipathy , Paul Steinmann , Erik Bitzek

We use a diagrammatic hopping expansion to calculate finite-temperature Green functions of the Bose-Hubbard model which describes bosons in an optical lattice. This technique allows for a summation of subsets of diagrams, so the divergence…

Statistical Mechanics · Physics 2013-05-30 Matthias Ohliger , Axel Pelster

The "flexible boundary condition" method, introduced by Sinclair and coworkers in the 1970s, remains among the most popular methods for simulating isolated two-dimensional crystalline defects, embedded in an effectively infinite atomistic…

Numerical Analysis · Mathematics 2021-10-15 M. Hodapp

We present a nonequilibrium strong-coupling approach to inhomogeneous systems of ultracold atoms in optical lattices. We demonstrate its application to the Mott-insulating phase of a two-dimensional Fermi-Hubbard model in the presence of a…

Strongly Correlated Electrons · Physics 2014-02-25 A. Dirks , K. Mikelsons , H. R. Krishnamurthy , J. K. Freericks

A new approach of implementing initial and boundary conditions for the lattice Boltzmann method is presented. The new approach is based on an extended collision operator that uses the gradients of the fluid velocity. The numerical…

comp-gas · Physics 2009-10-22 P. A. Skordos