Related papers: Analytic gradients for spin multiplets in natural …
High-order derivatives of Green's functions are a key ingredient in Taylor-based fast multipole methods, Barnes-Hut $n$-body algorithms, and quadrature by expansion (QBX). In these settings, derivatives underpin either the formation,…
We obtain estimates for integrals of derivatives of rational functions in multiply connected domains in the plane. A sharp order of the growth is found for the integral of the modulus of the derivative of a finite Blaschke product in the…
We present an algorithm for determining the minimal order differential equations associated to a given Feynman integral in dimensional or analytic regularisation. The algorithm is an extension of the Griffiths-Dwork pole reduction adapted…
The problem of finding of analytical gradients (derivatives over atoms coordinates) of solvation energies can be decomposed on two subtasks: at the first stage we search for parameters of the superficial devices (three coordinates, three…
We investigate the spin and pseudospin symmetry in the single-particle resonant states by solving the Dirac equation containing a Woods-Saxon potential with Green's function method. Taking double-magic nucleus $^{208}$Pb as an example,…
We develop a formalism for treating coherent wave-packet dynamics of charge and spin carriers in degenerate and nearly degenerate bands. We consider the two-band case carefully in view of spintronics applications, where transitions between…
This article is devoted to the spectral analysis of the electro-magnetic Schr\"odinger operator on the Euclidean plane. In the semiclassical limit, we derive a pseudo-differential effective operator that allows us to describe the spectrum…
In this paper we present a framework which provides an analytical (i.e., infinitely differentiable) transformation between spatial coordinates and orbital elements for the solution of the gravitational two-body problem. The formalism omits…
We provide a strategy to find in few elementary calculations the critical exponents of the overlaps for dilute spin glasses, in absence of external field. Such a strategy is based on the expansion of a suitably perturbed average of the…
The analytic integration and simplification of multi-loop Feynman integrals to special functions and constants plays an important role to perform higher order perturbative calculations in the Standard Model of elementary particles. In this…
We propose a modification of the electroweak theory, where the fermions with the same electroweak quantum numbers are combined in multiplets and are treated as different quantum states of a single particle. The developed approach enables…
We introduce multiscale invariant dictionaries to estimate quantum chemical energies of organic molecules, from training databases. Molecular energies are invariant to isometric atomic displacements, and are Lipschitz continuous to…
Using the generalized Schwinger-DeWitt technique, we calculate the divergent part of the one-loop effective action for gravity non-minimally coupled to a multiplet of scalar fields. All the calculations are consistently done in the Jordan…
Composite optimization problems, where the sum of a smooth and a merely lower semicontinuous function has to be minimized, are often tackled numerically by means of proximal gradient methods as soon as the lower semicontinuous part of the…
Standard approximations for the exchange-correlation functional are known to deviate from linear dependence of the energy on the electron and spin numbers (in -space). Violation of this flat-plane condition underlies the failure of all…
We consider in this paper a class of composite optimization problems whose objective function is given by the summation of a general smooth and nonsmooth component, together with a relatively simple nonsmooth term. We present a new class of…
We present the applications of variation -- wavelet analysis to polynomial/rational approximations for orbital motion in transverse plane for a single particle in a circular magnetic lattice in case when we take into account multipolar…
A new analytical operator method is discussed which solves linear ordinary differential equations with regular singularities. Solutions are obtained in analytic series form and also in Mellin-Barnes-type contour integral form. Exact series…
The accurate prediction of ionization potentials (IPs) is central to understanding molecular reactivity, redox behavior, and spectroscopic properties. While vertical IPs can be accessed directly from electronic excitations at fixed nuclear…
We present the analytical expressions for the differential cross sections and independent partial amplitudes for elastic scattering of nuclear particles for channels with a spin value of 1/2, 1, 3/2, 2 and 5/2. The independent partial…