相关论文: Ab initio lifetime correction to scattering states…

Within the well-established optical response function formalism, a new strategy with the central idea of employing the forward-backward stochastic Schr\"{o}dinger equations in a segmented way to accurately obtain the two-dimensional (2D)…

We review and further develop the recently introduced numerical approach for scattering calculations based on a so called pseudo-time Schroedinger equation, which is in turn a modification of the damped Chebyshev polynomial expansion…

We present a method for accurately computing transition probabilities in one-dimensional photoionization problems. Our approach involves solving the time-dependent Schr\"odinger equation and projecting its solution onto scattering states…

Characterizing quasibound states from coupled-channel scattering calculations can be a laborious task, involving extensive manual iteration and fitting. We present an automated procedure, based on the phase shift or S-matrix eigenphase sum,…

The Schroedinger equation with an energy-dependent complex absorbing potential, associated with a scattering system, can be reduced for a special choice of the energy-dependence to a harmonic inversion problem of a discrete pseudo-time…

While new light sources allow for unprecedented resolution in experiments with X-rays, a theoretical understanding of the scattering cross-section is lacking. In the particular case of strongly correlated electron systems, numerical…

In this paper, we prove some blow-up results for the semilinear wave equation in generalized Einstein-de Sitter spacetime by using an iteration argument and we derive upper bound estimates for the lifespan. In particular, we will focus on…

We compute the single particle inverse lifetime, evaluated in the superconducting state. Within the BCS framework, the calculation can be done non-perturbatively, i.e. poles can be found well away from the real axis. We find that…

We present a new adaptive method for electronic structure calculations based on novel fast algorithms for reduction of multivariate mixtures. In our calculations, spatial orbitals are maintained as Gaussian mixtures whose terms are selected…

We propose a unique scheme to construct fully optimized atomic basis sets for density-functional calculations. The shapes of the radial functions are optimized by minimizing the {\it spillage} of the wave functions between the atomic…

Nonhermitian systems provide new avenues to create topological defect states. An unresolved general question is how much the formation of these states depends on asymmetric backscattering, be it nonreciprocal as in the nonhermitian skin…

Generalized impedance boundary conditions are effective, approximate boundary conditions that describe scattering of waves in situations where the wave interaction with the material involves multiple scales. In particular, this includes…

We present a straightforward, noniterative projection scheme that can represent the electronic ground state of a periodic system on a finite atomic-orbital-like basis, up to a predictable number of electronic states and with controllable…

We present an approach to calculating the quantum resonances and resonance wave functions of chaotic scattering systems, based on the construction of states localized on classical periodic orbits and adapted to the dynamics. Typically only…

Electron scattering on liquid samples has been enabled recently by the development of ultrathin liquid sheet technologies. The data treatment of liquid-phase electron scattering has been mostly reliant on methodologies developed for gas…

We introduce a fully ab initio theory for inelastic scattering of any atom from any surface exciting single phonons, and apply the theory to helium scattering from Nb(100). The key aspect making our approach general is a direct…

Within the theory of Siegert pseudostates, it is possible to accurately calculate bound states and resonances. The energy continuum is replaced by a discrete set of states. Many questions of interest in scattering theory can be addressed…

This work studies time-dependent electromagnetic scattering from obstacles whose interaction with the wave is fully determined by a nonlinear boundary condition. In particular, the boundary condition studied in this work enforces a power…

Time-independent scattering methods are widely employed to analyze transport in non-Hermitian systems. Their application, however, rests on a critical yet often overlooked assumption: that an incident wave is a pure superposition of…

We introduce a new numerical method for solving time-harmonic acoustic scattering problems. The main focus is on plane waves scattered by smoothly varying material inhomogeneities. The proposed method works for any frequency $\omega$, but…