Related papers: Understanding Radicals via Orbital Parities
Using the complete orthonormal sets of radial parts of nonrelativitistic exponential type orbitals (2,1, 0, 1, 2, ...) and spinor type tensor spherical harmonics of rank s the new formulae for the 2(2s+1)-component relativistic spinors…
We evaluate the variance of coefficients of the characteristic polynomial for binary quantum graphs using a dynamical approach. This is the first example where a spectral statistic can be evaluated in terms of periodic orbits for a system…
We demonstrate how the mixed dynamic form factor (MDFF) can be interpreted as a quadratic form. This makes it possible to use matrix diagonalization methods to reduce the number of terms that need to be taken into account when calculating…
We present a set of notes, meant for quick reference, on radiative spin polarization, computer algorithms and spin matching in electron storage rings.
The usual theoretical model for synchrotron radiation in circular accelerators (synchrotrons and storage rings) is to treat a single electron moving in a horizontal circle in a uniform vertical magnetic field, but the true situation in real…
The performance of basis sets made of numerical atomic orbitals is explored in density-functional calculations of solids and molecules. With the aim of optimizing basis quality while maintaining strict localization of the orbitals, as…
Functions which are covariant or invariant under the transformations of a compact linear group $G$ acting in a euclidean space $\real^n$, can be profitably studied as functions defined in the orbit space of the group. The orbit space is the…
Orbital entropies, pair entropies, and mutual information have become popular tools for analysis of strongly correlated wave functions. They can quantitatively measure how strongly an orbital (e.g. from the DMRG active space) participates…
The aim of this review is twofold. First, a general approach is presented allowing for a unified description of dynamics in radiating systems of different nature. Both atomic systems as well as spin assemblies can be treated in the frame of…
The appearance of tracks, close to classical orbits, left by charged quantum particles propagating inside a detector, such as a cavity periodically illuminated by light pulses, is studied for a family of idealized models. In the…
The synchrotron radiation is commonly known to be completely linearly polarized when observed in the orbital plane of the synchrotron motion. Under actual experimental conditions, however, the degree of polarization of the synchrotron…
Starting from a semiclassical quantization condition based on the trace formula, we derive a periodic-orbit formula for the distribution of spacings of eigenvalues with k intermediate levels. Numerical tests verify the validity of this…
Analytical methods are used to prove the existence of a periodic, symmetric solution with singularities in the planar 4-body problem. A numerical calculation and simulation are used to generate the orbit. The analytical method easily…
Broken spatial inversion symmetry in spin-orbital coupled systems leads to a mixing between orbitals with different parity, which results in unusual electronic structures and transport properties. We theoretically investigate the…
We present a new hybrid method to solve the relativistic Hartree-Fock-Roothan equations where the one- and two-electron radial integrals are evaluated numerically by defining the basis functions on a grid. This procedure reduces the…
The splitting of single-particle energies between spin-orbit partners in nuclei is examined in the framework of different self-consistent approachs, non-relativistic as well as relativistic. Analytical expressions of spin-orbit potentials…
In this paper we study a probabilistic framework for Radon partitions, where our points are chosen independently from the $d$-dimensional normal distribution. For every point set we define a corresponding Radon polytope, which encodes all…
Structured optimization uses a prescribed set of atoms to assemble a solution that fits a model to data. Polarity, which extends the familiar notion of orthogonality from linear sets to general convex sets, plays a special role in a simple…
A test particle in a noncoplanar orbit about a member of a binary system can undergo Kozai-Lidov oscillations in which tilt and eccentricity are exchanged. An initially circular highly inclined particle orbit can reach high eccentricity. We…
In a previous paper we introduced examples of Hamiltonian mappings with phase space structures resembling circle packings. It was shown that a vast number of periodic orbits can be found using special properties. We now use this information…