Related papers: Gaussian continuum basis functions for calculating…
We present a new kind of basis function for discretizing the Schr\"odinger equation in electronic structure calculations, called a gausslet, which has wavelet-like features but is composed of a sum of Gaussians. Gausslets are placed on a…
Free-particle Green's function plays a central role in the theoretical description of electron scattering and autoionization processes in quantum physics and chemistry. Recently, Gaussian basis set approaches have become increasingly…
We study numerically the Bloch electron wave-packet dynamics in periodic potentials to simulate laser-solid interactions. We introduce a quasi-classical model in the \emph{k} space combined with the energy band structure to understand the…
With the aim of describing bound and continuum states for diatomic molecules, we develop and implement a spectral method that makes use of Generalized Sturmian Functions (GSF) in prolate spheroidal coordinates. In order to master all…
The search for gamma-ray counterparts to gravitational-wave events with the CALET Gamma-ray Burst Monitor (CGBM) requires accurate and robust background modeling. Previous CALET observing runs (O3 and O4) relied on averaged pre/post-event…
We theoretically investigate high-order harmonic generation (HHG) in Rydberg atoms driven by spatially inhomogeneous laser fields, induced, for instance, by plasmonic enhancement. It is well known that the laser intensity should to exceed…
We calculate high-harmonic generation (HHG) by intense infrared lasers in atoms and molecules with the inclusion of macroscopic propagation of the harmonics in the gas medium. We show that the observed experimental spectra can be accurately…
Optical coherence encodes information about the correlations of the electromagnetic field. In combination with quantum optical approaches, it allows for the study of the correlations between photons. Since the pioneering papers of Glauber,…
We investigate the high harmonic generation (HHG) from solids by simulating the dynamics of a single active electron in periodic potentials. The corresponding time-dependent Schr\"odinger equations (TDSE) are solved numerically by using…
In this work we construct Gaussian beam approximations to solutions of the high frequency Helmholtz equation with a localized source. Under the assumption of non-trapping rays we show error estimates between the exact outgoing solution and…
Closed-form expressions for all matrix elements required for variational calculation of the electronic structure of periodic solids have been derived using a basis of explicitly correlated Gaussians (ECGs). Periodic basis functions are…
We analyze Gaussian analytic functions (GAFs) defined as power series with coefficients modeled by discrete stationary Gaussian processes, utilizing their spectral measures. We revisit some limit theorems for random analytic functions and…
We present a generic approach for treating the effect of nuclear motion in the high-order harmonic generation from polyatomic molecules. Our procedure relies on a separation of nuclear and electron dynamics where we account for the…
Gaussian processes are popular and flexible models for spatial, temporal, and functional data, but they are computationally infeasible for large datasets. We discuss Gaussian-process approximations that use basis functions at multiple…
We consider three distinct methods to compute the mass spectrum of gauge theories in the Hamiltonian formalism: (1) correlation-function scheme, (2) one-point-function scheme, and (3) dispersion-relation scheme. The first one examines…
The generation of high harmonics in laser-irradiated light homonuclear diatomics (H2+, N2 and O2) compared to that in atomic counterparts (of nearly identical binding energy) is studied within the velocity gauge version of conventional…
The study of high-harmonic generation in confined quantum systems is vital to establishing a complete physical picture of harmonic generation from atoms and molecules to bulk solids. Based on a multilevel approach, we demonstrate how…
Credible forecasting and representation learning of dynamical systems are of ever-increasing importance for reliable decision-making. To that end, we propose a family of Gaussian processes (GP) for dynamical systems with linear…
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…
High-order harmonic generation (HHG) enables the up-conversion of intense infrared or visible femtosecond laser pulses into extreme-ultraviolet attosecond pulses. However, the highly nonlinear nature of the process results in low conversion…