相关论文: Ab initio lifetime correction to scattering states…
Improvement of numerical methods for calculating charge transport quantities of materials from the Boltzmann transport equation (BTE) is important for prediction of material properties. In particular, techniques which allow for more…
Electronic structure calculations on small systems such as H$_2$, H$_2$O, LiH, and BeH$_2$ with chemical accuracy are still a challenge for the current generation of the noisy intermediate-scale quantum (NISQ) devices. One of the reasons is…
Over the last three decades numerous numerical methods for solving the time-dependent Schr\"{o}dinger equation within the single-active electron approximation have been developed for studying ionization of atomic targets exposed to an…
We calculate Coulomb scattering lifetimes of electrons in two-subband quantum wires and in double-layer quantum wells by obtaining the quasiparticle self-energy within the framework of the random-phase approximation for the dynamical…
We investigate the influence of a time dependent, homogeneous electric field on scattering properties of non-interacting electrons in an arbitrary static potential. We develop a method to calculate the (Keldysh) Green's function in two…
The algebraic approach to the phase problem for the case of X-ray scattering from an ideal crystal is extended to the case of the neutron scattering, overcoming the difficulty related to the non-positivity of the scattering density. In this…
A high-frequency recovered fully discrete low-regularity integrator is constructed to approximate rough and possibly discontinuous solutions of the semilinear wave equation. The proposed method, with high-frequency recovery techniques, can…
Scattering is an important phenomenon which is observed in systems ranging from the micro- to macroscale. In the context of nuclear reaction theory the Heidelberg approach was proposed and later demonstrated to be applicable to many chaotic…
In this paper, we present a powerful method (Atomistic Green's Function, AGF) for calculating the effective Hamiltonian of acoustic and elastic wave-scatterers. The ability to calculate the effective Hamiltonian allows for the study of…
Many-body quantum-mechanical scattering problem is solved asymptotically when the size of the scatterers (inhomogeneities) tends to zero and their number tends to infinity. A method is given for calculation of the number of small…
A deep learning scheme is proposed to solve the electromagnetic (EM) scattering problems where the profile of the dielectric scatterer of interest is incomplete. As a compensation, a limited amount of scattering data is provided, which is…
We present an approach for generating local numerical basis sets of improving accuracy for first-principles nanoplasmonics simulations within time-dependent density functional theory. The method is demonstrated for copper, silver, and gold…
The pseudospectral method is a powerful tool for finding highly precise solutions of Schr\"{o}dinger's equation for few-electron problems. We extend the method's scope to wave functions with non-zero angular momentum and test it on several…
The Half-Space Matching (HSM) method has recently been developed as a new method for the solution of 2D scattering problems with complex backgrounds, providing an alternative to Perfectly Matched Layers (PML) or other artificial boundary…
We introduce a nonperturbative approximation scheme for performing scattering calculations in two dimensions that involves neglecting the contribution of the evanescent waves to the scattering amplitude. This corresponds to replacing the…
We present a numerical approach to the solution of elastic phonon scattering problems based on a frequency domain decomposition of the atomistic equations of motion and the use of perfectly matched layer or PML boundaries. Unlike MD…
In existing theoretical approaches to core-level excitations of transition-metal ions in solids relaxation and polarization effects due to the inner core hole are often ignored or described phenomenologically. Here we set up an ab initio…
We construct two-electron scattering states and verify their tensor product structure in the infrared-regular massless Nelson model. The proof follows the lines of Haag-Ruelle scattering theory: Scattering state approximants are defined…
The optimized-effective-potential (OEP) method is a special technique to construct local Kohn-Sham potentials from general orbital-dependent energy functionals. In a recent publication [M. Betzinger, C. Friedrich, S. Bl\"ugel, A. G\"orling,…
The collision frequency (also known as the inverse scattering lifetime) can be self-consistently calculated from the imaginary part of the zero-temperature elastic scattering cross-section in unconventional superconductors. We find these…