Related papers: Computing photoionization spectra in Gaussian basi…
Bifurcations of classical orbits introduce divergences into semiclassical spectra which have to be smoothed with the help of uniform approximations. We develop a technique to extract individual energy levels from semiclassical spectra…
We propose to recover spectral details from RGB images of known spectral quantization by modeling natural spectra under Gaussian Processes and combining them with the RGB images. Our technique exploits Process Kernels to model the relative…
The quantum behavior of charge carriers in semiconductor structures is often described in terms of the effective mass Schr\"{o}dinger equation, neglecting the rapid fluctuations of the wave function on the scale of the atomic lattice. For…
The method of H- photoionization is interesting for laser assisted charge exchange injection. In this paper, the model and computation of photoionization of negative hydrogen ion by using strong lasers is considered. The development of this…
In this work we give a comprehensive derivation of an exact and numerically feasible method to perform ab-initio calculations of quantum particles interacting with a quantized electromagnetic field. We present a hierachy of…
This paper discusses the use of absolutely one-homogeneous regularization functionals in a variational, scale space, and inverse scale space setting to define a nonlinear spectral decomposition of input data. We present several theoretical…
Here we report new ${\it ab initio}$ calculations of the effective recombination coefficients for the \ion{N}{ii} recombination spectrum. We have taken into account the density dependence of the coefficients arising from the relative…
We introduce highly local basis sets for electronic structure which are very efficient for correlation calculations near the complete basis set limit. Our approach is based on gausslets, recently introduced wavelet-like smooth orthogonal…
A new technique towards finding asymptotic normalization coefficients in the complex-ranged Gaussian basis is presented. It is shown that a diagonalisation procedure for the total Hamiltonian matrix in the given basis results in…
We present a first-principles-based multiscale simulation framework for quantitative predictions of the high-energy part of the Ultraviolet Photoelectron Spectroscopy (UPS) spectra of amorphous molecular solids. The approach combines a…
We present a simple, robust and black-box approach to the implementation and use of local, periodic, atom-centered Gaussian basis functions within a plane wave code, in a computationally efficient manner. The procedure outlined is based on…
Simulations of the generation of the atomic polarization is necessary for interpreting the second solar spectrum. For this purpose, it is important to rigorously determine the effects of the isotropic collisions with neutral hydrogen on the…
We propose a continuous variable quantum state tomography protocol of electrons which result from the ionization of atoms or molecules by the absorption of extreme ultraviolet light pulses. Our protocol is benchmarked against a direct…
The spectral density operator $\hat{\rho}(\omega)=\delta(\omega-\hat{H})$ plays a central role in linear response theory as its expectation value, the dynamical response function, can be used to compute scattering cross-sections. In this…
We survey the results of a long-term study of the process of radiative recombination. A rigorous theory of nonrelativistic electron radiative recombination with a hydrogen-like ion is used to calculate the total cross section of the…
We demonstrate by time-resolved resonance fluorescence measurements on a single self-assembled quantum dot an internal photo-effect that emits electrons from the dot by an intra-band excitation. We find a linear dependence of the optically…
The calculation of partial two-photon ionization cross sections in the above-threshold energy region is discussed in the framework of exterior complex scaling. It is shown that with a minor modification of the usual procedure, which is…
For the non cutoff radially symmetric homogeneous Boltzmann equation with Maxwellian molecules, we give the numerical solutions using symbolic manipulations and spectral decomposition of Hermit functions. The initial data can belong to some…
We present a self-consistent approach for computing the correlated quasiparticle spectrum of charged excitations in iterative $\mathcal{O}[N^5]$ computational time. This is based on the auxiliary second-order Green's function approach [O.…
Measurable spectra are theoretically very often derived from complicated many-body Green's functions. In this way, one calculates much more information than actually needed. Here we present an in principle exact approach to construct…