Related papers: A composite ansatz for the calculation of dynamica…
We describe a method for calculating the resonant inelastic X-ray scattering (RIXS) response---including the dynamics of the transient core hole---of many-body systems with non-trivial gap structure encoded in their single particle Green's…
Dyson equation for the real two-time commutator retarded one-magnon Green function of the ferromagnetically polarized XX chain is suggested following the Plakida-Tserkovnikov algorithm. Starting from this result a low-temperature integral…
An accurate expression of the kinetic energy density of an electronic distribution in terms of the single particle reduced density matrix for atomic and molecular systems is a long-standing problem in electron structure theory. Existing…
We introduce a computational scheme for calculating the electronic structure of random alloys that includes electronic correlations within the framework of the combined density functional and dynamical mean-field theory. By making use of…
The variational discrete element method developed in [28] for dynamic elasto-plastic computations is adapted to compute the deformation of elastic Cosserat materials. In addition to cellwise displacement degrees of freedom (dofs), cellwise…
Thomson scattering spectra measure the response of plasma particles to incident radiation. In warm dense matter, which is opaque to visible light, x-ray Thomson scattering (XRTS) enables a detailed probe of the electron distribution and has…
Critical systems have always intrigued physicists and precipitated the development of new techniques. Recently, there has been renewed interest in the information contained in their classical configurations, whose computation do not require…
We report extensive all-electron time-dependent density-functional calculations and nonresonant inelastic x-ray scattering measurements of the dynamical structure factor of 3d transition metals. For small wave vectors, a plasmon peak is…
The discrete Fourier transform is approximated by summing over part of the terms with corresponding weights. The approximation reduces significantly the requirement for computer memory storage and enhances the numerical computation…
Structure factors obtained from diffraction experiments are one of the most important quantities for characterizing the electronic and structural properties of materials. Methods for calculating this quantity from plane-wave density…
Introducing the fermionic R-operator and solutions of the inverse scattering problem for local fermion operators, we derive a multiple integral representation for zero-temperature correlation functions of a one-dimensional interacting…
Complex transition density can be constructed by a nuclear structure model with a complex basis and/or complex coefficient. In general, the complex transition density is converted to the real one with phase factor. In this study, we apply…
Excitons in a complex organic molecular crystal were studied by inelastic x-ray scattering (IXS) for the first time. The dynamic dielectric response function is measured over a large momentum transfer region, from which an exciton…
We present a computational study of $L$-edge resonant inelastic x-ray scattering (RIXS) in correlated 3$d$ transition-metal oxides using an $ab$ $initio$ method based on local density approximation + dynamical mean-field theory (DMFT). The…
We discuss an integral equation approach that enables fast computation of the response of nonlinear multi-degree-of-freedom mechanical systems under periodic and quasi-periodic external excitation. The kernel of this integral equation is a…
Using a cell dynamic system (CDS) simulation scheme, we investigate the phase-ordering dynamics of non-conserved O(n) models without topological defects, i.e. for $n > d+1$ where $d$ is the spatial dimensionality. In particular, we consider…
An exact expression is derived for the kinetic contribution to the odd (arbitrary order) frequency moments of the dynamic structure factor via a finite summation that features averages of even (all lower orders) powers of the momentum over…
We perform a spectral decomposition of the dynamical correlation function of the spin $1/2$ XXZ model into an infinite sum of products of form factors. Beneath the four-particle threshold in momentum space the only non-zero contributions to…
The dynamical structure factor of the S=1/2 bond-alternating spin chain with a next-nearest-neighbor interaction in magnetic field is investigated using the continued fraction method based on the Lanczos algorithm. When the plateau exists…
We present an ab initio theory of core- and valence resonant inelastic x-ray scattering (RIXS) based on a real-space multiple scattering Green's function formalism and a quasi-boson model Hamiltonian. Simplifying assumptions are made which…