Related papers: A time-dependent scattering approach to core-level…
We consider the nonlinear Schr{\"o}dinger equation with a defocusing nonlinearity which is mass-(super)critical and energy-subcritical. We prove uniform in time error estimates for the Lie-Trotter time splitting discretization. This…
A new approach is described to the evaluation of the S-matrix in three-dimensional atom-diatom reactive quantum scattering theory. The theory is developed based on natural collision coordinates where progress along the reaction coordinate…
The Liouville-Lanczos approach to linear-response time-dependent density-functional theory is generalized so as to encompass electron energy-loss and inelastic X-ray scattering spectroscopies in periodic solids. The computation of virtual…
RMT is a program which solves the time-dependent Schrodinger equation for general, multielectron atoms, ions and molecules interacting with laser light. As such it can be used to model ionization (single-photon, multi-photon and…
An embedding method for solving the time-dependent Schr\"odinger equation is developed using the Dirac-Frenkel variational principle. Embedding allows the time-evolution of the wavefunction to be calculated explicitly in a limited region of…
Raman spectroscopy uses light scattering to extract information on low-energy excitations of solids. The Raman process is described by diagrams which are fourth order in the light-matter interaction, and in particular the resonant…
We derive a time-dependent density functional theory appropriate for calculating the near-edge X-ray absorption spectrum in molecules and condensed matter. The basic assumption is to increase the space of many-body wave functions from one…
Resonant inelastic x-ray scattering (RIXS) has become a very powerful experimental technique to probe a broad range of intrinsic elementary excitations, for example, from low energy phonons and (bi-)magnons to high energy $d$-$d$,…
A detailed exposition of highly efficient and accurate method for the propagation of the time-dependent Schr\"odinger equation is presented. The method is readily generalized to solve an arbitrary set of ODE's. The propagation is based on a…
The time-dependent Schrodinger equation is solved for two model problems for a non-Hermitian quantum system.A simple matrix model system is used to examine two critical problems for these systems: complex and non-observable energies and…
This paper studies time-dependent electromagnetic scattering from metamaterials that are described by dispersive material laws. We consider the numerical treatment of a scattering problem in which a dispersive material law, for a causal and…
We present a relativistic time-dependent density functional theory (TDDFT) approach for the simulation of resonant inelastic X-ray scattering (RIXS) spectra, based on both a full four-component (4c) Dirac-Coulomb Hamiltonian and a modern…
We present a time-dependent quantum algorithm for nuclear inelastic scattering in the time-dependent basis function on qubits approach. This algorithm aims to quantum simulate a subset of the nuclear inelastic scattering problems that are…
We develop a time-dependent multi-group multidimensional relativistic radiative transfer code, which is required to numerically investigate radiation from relativistic fluids involved in, e.g., gamma-ray bursts and active galactic nuclei.…
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…
We investigate the problem of inelastic x-ray scattering in the spin$-{1/2}$ Heisenberg model on the square lattice. We first derive a momentum dependent scattering operator for the $A_{1g}$ and $B_{1g}$ polarization geometries. On the…
We present the application of the inverse scattering method to the design of semiconductor heterostructures having a preset dependence of the (conduction) electrons' reflectance on the energy. The electron dynamics are described by either…
A method of solving the time-dependent Schr\"odinger equation is presented, in which a finite region of space is treated explicitly, with the boundary conditions for matching the wave-functions on to the rest of the system replaced by an…
We develop a theory of resonant inelastic x-ray scattering (RIXS) at the $K$ edge in La$_2$CuO$_4$ on the basis of the Keldysh Green's function formalism. In our previous analysis (Phys. Rev. B 71, 035110 (2005)), the scattering by the…
We propose a hybrid quantum-classical algorithm for solving the time-independent Schr\"odinger equation for atomic and molecular collisions. The algorithm is based on the $S$-matrix version of the Kohn variational principle, which computes…