Related papers: Radial Gausslets
The radial distribution function is a characteristic geometric quantity of a point set in Euclidean space that reflects itself in the corresponding diffraction spectrum and related objects of physical interest. The underlying combinatorial…
We re-examine the series of resonances found earlier in atomic three-body systems by solving the Faddeev-Merkuriev integral equations. These resonances are rather broad and line-up at each threshold with gradually increasing gaps, the same…
We address a simple but fundamental issue arising in the study of graphene, as well as of other systems that have a crystalline structure with more than one atom per unit cell. For these systems, the choice of the tight-binding basis is not…
The carbon nanostructures are perspective materials for the future applications. This has two reasons: first, the hexagonal atomic structure which enables a high molecular variability by placing different kinds of the defects and second,…
A way to add an extra dimension is briefly discussed.
We consider a quasi one-dimensional quantum dot composed of two Coulombically interacting electrons confined in a Gaussian trap. Apart from bound states, the system exhibits resonances that are related to the autoionization process.…
We present model-assisted density fitting (MADF) basis set generator, an algorithm for generating primitive atomic Gaussian density fitting (DF) basis sets (DFBSs) from a contracted Gaussian orbital basis set (OBS). The MADF algorithm…
A graphical design is a subset of graph vertices such that the weighted averages of certain graph eigenvectors over the design agree with their global averages. We use Gale duality to show that positively weighted graphical designs in…
A challenge in modeling time-dependent strong-field processes such as high-harmonic generation for many-body systems, is how to effectively represent the electronic continuum. We apply Rothe's method to the time-dependent Hartree-Fock…
Various explicitly correlated Gaussian (ECG) basis sets are considered for the solution of the molecular Schr\"odinger equation with particular attention to the simplest polyatomic system, H$_3^+$. Shortcomings and advantages are discussed…
We describe a generalized formalism, addressing the fundamental problem of reflection and transmission of complex optical waves at a plane dielectric interface. Our formalism involves the application of generalized operator matrices to the…
Using first-principles calculations, we examine the electronic structure of quasi-one-dimensional fullerene nanoribbons derived from two-dimensional fullerene networks. Depending on the edge geometry and width, these nanoribbons exhibit a…
Chiroptical responses in atomic systems are usually weak, as they arise from the interference between electric- and much weaker magnetic-dipole transitions. We show that atoms arranged in chiral geometries can instead exhibit a strong…
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…
A practical electronic structure method in which a two-body functional is the fundamental variable is constructed. The basic formalism of our method is equivalent to Hartree-Fock density matrix functional theory [M. Levy in {\it Density…
We present a construction of a wavelet-type orthonormal basis for the space of radial $L^2$-functions in $\R^3$ via the concept of a radial multiresolution analysis. The elements of the basis are obtained from a single radial wavelet by…
Use of the Laguerre-Gaussian fields in an atom-light interaction makes the linewidth of the optical spectrum narrow. We exploit this fact for providing the ability to accomplish simultaneous ultra-high precision and spatial resolution atom…
An overview is provided over the physics of dielectric microcavities with non-paraxial mode structure; examples are microdroplets and edge-emitting semiconductor microlasers. Particular attention is given to cavities in which two spatial…
Germanene nanoribbons, with buckled structures, exhibit unique electronic properties. The complicated relations among the quantum confinement, the spin-orbital coupling, the magnetic quantization, the electric-field dominated quantum…
The construction of fractal generalized zone plates (FraGZPs) from a set of periodic diffractive optical elements with circular symmetry is proposed. This allows us to increase the number of foci of a conventional fractal zone plate…