Related papers: Spherical-harmonic-analysis-based optimization of …

We describe an algorithm to optimally extract individual spectra of blended sources from a long slit spectrum. A semi-analytic model for the spatial profile is used: a Voigt profile for the undersampled core with a numerical correction…

An attempt is made to bypass spectral analysis and fit internal coordinates of radicals directly to experimental liquid- and solid-state electron spin resonance (ESR) spectra. We take advantage of the recently introduced large-scale spin…

The method of McCurdy, Baertschy, and Rescigno, J. Phys. B, 37, R137 (2004) is generalized to obtain a straightforward, surprisingly accurate, and scalable numerical representation for calculating the electronic wave functions of molecules.…

The atomic and electronic structure of positively charged P vacancies on InP(110) surfaces is determined by combining scanning tunneling microscopy, photoelectron spectroscopy, and density-functional theory calculations. The vacancy…

In a previous work we showcased the factorization method to find the symmetries of superintegrable systems with spherical separability in flat spaces. Here we analyze the same problem, but in constant curvature spaces along the examples of…

The partition function of the symmetric (zero electric field) eight-vertex model on a square lattice can be formulated either in the original "electric" vertex format or in an equivalent "magnetic" Ising-spin format. In this paper, both…

We here present a method of performing integrals of products of spherical Bessel functions (SBFs) weighted by a power-law. Our method, which begins with double-SBF integrals, exploits a differential operator $\hat{D}$ defined via Bessel's…

A mixture of spin-1/2 fermionic atoms and molecules of paired fermionic atoms is studied in an optical lattice. The molecules are formed by an attractive nearest-neighbor interaction. A functional integral is constructed for this many-body…

The prediction of chemical properties using Machine Learning (ML) techniques calls for a set of appropriate descriptors that accurately describe atomic and, on a larger scale, molecular environments. A mapping of conformational information…

A genuinely three-dimensional system, viz. the hyperbolic 4-sphere scattering system, is investigated with classical, semiclassical, and quantum mechanical methods at various center-to-center separations of the spheres. The efficiency and…

In this work, we investigate a theory of stochastic integration for operator-valued processes with respect to semimartingales taking values in the dual of a nuclear space. Our construction of this particular stochastic integral relies on…

The Schroedinger equation is solved for an A-nucleon system using an expansion of the wave function in nonsymmetrized hyperspherical harmonics. Our approach is both an extension and a modification of the formalism developed by Gattobigio et…

Seismic imaging is a major challenge in geophysics with broad applications. It involves solving wave propagation equations with absorbing boundary conditions (ABC) multiple times. This drives the need for accurate and efficient numerical…

We implement and benchmark the frozen core approximation, a technique commonly adopted in electronic structure theory to reduce the computational cost by means of mathematically fixing the chemically inactive core electron states. The…

We use the fermionic construction of two-matrix model partition functions to evaluate integrals over rational symmetric functions. This approach is complementary to the one used in the paper ``Integrals of Rational Symmetric Functions,…

A new scheme for constructing approximate effective electron potentials within density-functional theory is proposed. The scheme consists of calculating the effective potential for a series of reference systems, and then using these…

We report new shell-model calculations of the isospin-symmetry-breaking correction to superallowed nuclear beta decay. The most important improvement is the inclusion of core orbitals, which are demonstrated to have a significant impact on…

Variables adapted to the quantum dynamics of spherically symmetric models are introduced, which further simplify the spherically symmetric volume operator and allow an explicit computation of all matrix elements of the Euclidean and…

In the framework of the Minimal Supersymmetric Standard Model we compute the one-loop effective action for the electroweak bosons obtained after integrating out the different sleptons, squarks, neutralinos and charginos, and present the…

Dense packing of particles has provided important models to study the structure of matter in various systems such as liquid, glassy and crystalline phase, etc. The simplest sphere packing models are able to represent and capture salient…