Related papers: Recurrence relations for four-electron integrals o…
The two-center two-electron Coulomb and hybrid integrals arising in relativistic and nonrelativistic ab-initio calculations of molecules are evaluated over the non-integer Slater-type orbitals via ellipsoidal coordinates. These integrals…
We review the method of the calculation of multiloop integrals recently suggested in Ref.[Lee2010]. A simple method of derivation of the dimensional recurrence relation suitable for automatization is given. Some new analytic results are…
Multiresolution analysis of electronic structure affords the opportunity to capture the full physics of atomic cores in a systematically improvable manner. Applying new techniques, we demonstrate for the first time that multiresolution…
The computation of generalized inverses of quaternion matrices is a fundamental problem in quaternion linear algebra, with wide-ranging applications in signal processing, image restoration, and multidimensional data analysis. This paper…
I study the Feynman integrals needed to compute two-loop self-energy functions for general masses and external momenta. A convenient basis for these functions consists of the four integrals obtained at the end of Tarasov's recurrence…
A recurrent theme in functional analysis is the interplay between the theory of positive definite functions, and their reproducing kernels, on the one hand, and Gaussian stochastic processes, on the other. This central theme is motivated by…
We compare four different methods for the numerical computation of the pure gluonic amplitudes in the Born approximation. We are in particular interested in the efficiency of the various methods as the number n of the external particles…
Analytical templates for the 4-Point Correlation Function (4PCF) covariance matrix have been developed in the past assuming a Gaussian Random Field (GRF). In this work, we present the second part of the beyond GRF calculation of the 4PCF…
We present an all-electron, four-component relativistic implementation of electric field gradients (EFGs) at the nuclei using Gaussian-type orbitals and periodic boundary conditions. This allows us to include relativistic effects…
We propose a family of multivariate Gaussian process models for correlated outputs, based on assuming that the likelihood function takes the generic form of the multivariate exponential family distribution (EFD). We denote this model as a…
Representations of multivariate functions with low-dimensional functions that depend on subsets of original coordinates (corresponding of different orders of coupling) are useful in quantum dynamics and other applications, especially where…
Present and future high-precision tests of the Standard Model and beyond for the fundamental constituents and interactions in Nature are demanding complex perturbative calculations involving multi-leg and multi-loop Feynman diagrams.…
We perform a recursive reduction of one-loop $n$-point rank $R$ tensor Feynman integrals [in short: $(n,R)$-integrals] for $n\leq 6$ with $R\leq n$ by representing $(n,R)$-integrals in terms of $(n,R-1)$- and $(n-1,R-1)$-integrals. We use…
Gausslets are one of the few examples of basis sets for electronic structure which allow for two-index/diagonal electron-electron interaction terms. A weakness of gausslets is that, because of their 1D origin, they have been tied to…
New approach to systems of polynomial recursions is developed based on the Carleman linearization procedure. The article is divided into two main sections: firstly, we focus on the case of uni-variable depth-one polynomial recurrences.…
In this paper, we consider the Dirac-Coulomb equation for many-particles, to describe the interaction between electrons in the system having many electrons. The four-component wave function will expanding into a finite basis-set, using…
Gaussian processes (GPs) are nonparametric priors over functions. Fitting a GP implies computing a posterior distribution of functions consistent with the observed data. Similarly, deep Gaussian processes (DGPs) should allow us to compute a…
In this paper, we describe a reliable symbolic computational algorithm for inverting general cyclic heptadiagonal matrices by using parallel computing along with recursion. The algorithm is implementable to the Computer Algebra System(CAS)…
We generalize the solution of linear recurrence relations from fields to central division algebras, adapting the standard tools of companion matrices and characteristic polynomials to the non-commutative setting. We then solve linear…
Many combinatorial and other number triangles are solutions of recurrences of the Graham-Knuth-Patashnik (GKP) type. Such triangles and their defining recurrences are investigated analytically. They are acted on by a transformation group…