相关论文: Implicit infinite lattice summations for real spac…
We present a wavefunction-based approach to correlated ab initio calculations on crystalline insulators of infinite extent. It uses the representation of the occupied and the unoccupied (virtual) single-particle states of the infinite solid…
In present work, a relativistic relation that connects the difference of interacting and non-interacting integrated two-particle correlation functions in finite volume to infinite volume scattering phase shift through an integral is…
Density matrix embedding theory (Phys. Rev. Lett. 109, 186404 (2012)) and density embedding theory ((Phys. Rev. B 89, 035140 (2014)) have recently been introduced for model lattice Hamiltonians and molecular systems. In the present work,…
A continuous infinite system of point particles interacting via two-body strong superstable potential is considered in the framework of classical statistical mechanics. We define some kind of approximation of main quantities, which describe…
Ab initio wavefunction based methods are applied to the study of electron correlation effects on the band structure of oxide systems. We choose MgO as a prototype closed-shell ionic oxide. Our analysis is based on a local Hamiltonian…
We propose a lattice density-functional theory for {\it ab initio} quantum chemistry or physics as a route to an efficient approach that approximates the full configuration interaction energy and orbital occupations for molecules with…
Correlated {\em ab initio} electronic structure calculations are reported for the polymers lithium hydride chain $[LiH]_{\infty}$ and beryllium hydride $[Be_{2}H_{4}]_{\infty}$. First, employing a Wannier-function-based approach, the…
We describe a novel approach for computing wave correlation functions inside finite spatial domains driven by complex and statistical sources. By exploiting semiclassical approximations, we provide explicit algorithms to calculate the local…
We consider the problem of calculation of correlation functions in the six-vertex model with domain wall boundary conditions. To this aim, we formulate the model as a scalar product of off-shell Bethe states, and, by applying the quantum…
In this work, the lattice Boltzmann method (LBM) is assessed as a time-domain numerical approach for electromagnetic wave scattering. Owing to its explicit formulation and suitability for parallel computation on structured grids, LBM…
We present an efficient implementation of ab initio many-body quantum embedding and local correlation methods for infinite periodic systems through translational symmetry adapted interpolative separable density fitting, an approach which…
We clarify the links between a recently developped long wavelength iteration scheme of Einstein's equations, the Belinski Khalatnikov Lifchitz (BKL) general solution near a singularity and the antinewtonian scheme of Tomita's. We determine…
Simulations of supersymmetric field theories with spontaneously broken supersymmetry require in addition to the ultraviolet regularisation also an infrared one, due to the emergence of the massless Goldstino. The intricate interplay between…
This paper introduces a new method for the efficient computation of oscillatory multidimensional lattice sums in geometries with boundaries. Such sums are ubiquitous in both pure and applied mathematics, and have immediate applications in…
We examine theoretically and experimentally the localized %and extended electrical modes existing in a bi-inductive electrical lattice containing a bulk or a surface capacitive impurity. By means of the formalism of lattice Green's…
We present a method which enables solid-state density functional theory calculations to be applied to systems of almost unlimited size. Computations of physical effects up to the micron length scale but which nevertheless depend on the…
The evaluation of the interaction between objects arranged on a lattice requires the computation of lattice sums. A scenario frequently encountered are systems governed by the Helmholtz equation in the context of electromagnetic scattering…
In this thesis, we have investigated the spreading of quantum correlations in isolated lattice models with short- or long-range interactions driven far from equilibrium via sudden global quenches. A general theoretical approach relying on a…
For a one-dimensional model in which the two-body interactions are long-range and strong, the system almost crystallizes. The harmonic modes of such a lattice can be used to compute the ground state wave function and the dynamical…
We examine the formation of localized states on a generalized nonlinear impurity located at, or near the surface of a semi-infinite 2D square lattice. Using the formalism of lattice Green functions, we obtain in closed form the number of…