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We present a general methodology to evaluate matrix elements of the effective core potentials (ECPs) within one-electron basis set of Slater-type orbitals (STOs). The scheme is based on translation of individual STO distributions in the…

Chemical Physics · Physics 2017-05-17 Michal Lesiuk , Aleksandra M. Tucholska , Robert Moszynski

We present analytic results of the two-loop master integrals for hadronic $tW$ production that contain two massive propagators. For the planar integral family, we succeed in constructing the canonical basis, so the results are written in…

High Energy Physics - Phenomenology · Physics 2023-02-17 Jian Wang , Yefan Wang

Loop diagram calculations typically rely on reduction to a finite set of master integrals in $4 - 2\epsilon$ dimensions. It has been shown that for any problem, the masters can be chosen so that their coefficients are finite as $\epsilon…

High Energy Physics - Phenomenology · Physics 2022-04-06 Stephen P. Martin

Few-body problems involving Coulomb or gravitational interactions between pairs of particles, whether in classical or quantum physics, are generally handled through a standard multipole expansion of the two-body potentials. We discuss an…

The wavefunction for the multiparticle Schr\"odinger equation is a function of many variables and satisfies an antisymmetry condition, so it is natural to approximate it as a sum of Slater determinants. Many current methods do so, but they…

Mathematical Physics · Physics 2009-11-13 Gregory Beylkin , Martin J. Mohlenkamp , Fernando Pérez

By the use of complete orthonormal sets of nonrelativistic scalar orbitals introduced by the author in previous papers the new complete orthonormal basis sets for two- and four-component spinor wave functions, and Slater spinor orbitals…

Chemical Physics · Physics 2008-12-16 I. I. Guseinov

The Born-Oppenheimer potential for the $^1\Sigma_g^+$ state of H$_2$ is obtained in the range of 0.1 -- 20 au, using analytic formulas and recursion relations for two-center two-electron integrals with exponential functions. For small…

Chemical Physics · Physics 2015-05-19 Krzysztof Pachucki

We compute dual-conformally invariant ladder integrals that are capped off by pentagons at each end of the ladder. Such integrals appear in six-point amplitudes in planar N=4 super-Yang-Mills theory. We provide exact, finite-coupling…

High Energy Physics - Theory · Physics 2018-08-15 Simon Caron-Huot , Lance J. Dixon , Matt von Hippel , Andrew J. McLeod , Georgios Papathanasiou

The well-known spatial integration schemes in molecular electronic structure theory, immune to cusps and point singularities of some kind at atomic positions, use a set of weighting functions to split the integrand into a sum of…

Chemical Physics · Physics 2022-09-14 Dimitri N. Laikov

An improved algorithm to evaluate the nonrelativistic three-electron Hylleraas-Configuration Interaction (Hy-CI) kinetic energy integrals over Slater orbitals and the Hamiltonian in Hylleraas coordinates is shown. The resulting analytical…

Atomic Physics · Physics 2016-01-29 Maria Belen Ruiz

Addition theorems have been indispensable tools for the reduction of quantum transition amplitudes. They are normally utilized at the start of the process to move the angular dependence within plane waves and Coulomb potentials, and the…

General Mathematics · Mathematics 2026-01-27 Jack C. Straton

This paper had no abstract originally. A second-order symplectic integration algorithm for guiding center motion is presented. The algorithm is based on the Poincar\'e (mid-point) generating function.

Plasma Physics · Physics 2018-09-17 John R. Cary

In any ab initio molecular orbital (MO) calculations, the major task involves the computation of the so-called molecular multi-center integrals. Multi-center integral calculations is a very challenging mathematical problem in nature.…

Computational Physics · Physics 2022-04-26 Richard M. Slevinsky , Hassan Safouhi

We calculate analytically the master integrals of a planar double-box family for top-quark pair production using the method of differential equations. With a proper choice of the bases, the differential equations can be transformed to the…

High Energy Physics - Phenomenology · Physics 2019-03-27 Long-Bin Chen , Jian Wang

In this paper we present results of ab-initio calculations for the beryllium dimer with basis set of Slater-type orbitals (STOs). Nonrelativistic interaction energy of the system is determined using the frozen-core full configuration…

Chemical Physics · Physics 2015-01-21 Michał Lesiuk , Michał Przybytek , Monika Musiał , Bogumił Jeziorski , Robert Moszynski

We consider the problem of obtaining higher order in regularization parameter $\epsilon$ analytical results for master integrals with elliptics. The two commonly employed methods are provided by the use of differential equations and direct…

High Energy Physics - Phenomenology · Physics 2022-09-07 M. A. Bezuglov , A. I. Onishchenko

Single-center two-electron integration is an important core technology in ab initio calculation of atomic and molecular structures. Therefore, this paper reviews and optimizes the method of Zhao et al., and draws a conclusion: Because this…

Quantum Physics · Physics 2023-06-27 Lian-Peng Zhao

We present a novel type of differential equations for on-shell loop integrals. The equations are second-order and importantly, they reduce the loop level by one, so that they can be solved iteratively in the loop order. We present several…

High Energy Physics - Theory · Physics 2011-04-22 James M. Drummond , Johannes M. Henn , Jaroslav Trnka

In this paper, we analytically compute all master integrals for one of the two non-planar integral families for five-particle massless scattering at two loops. We first derive an integral basis of 73 integrals with constant leading…

High Energy Physics - Phenomenology · Physics 2019-03-18 D. Chicherin , T. Gehrmann , J. M. Henn , N. A. Lo Presti , V. Mitev , P. Wasser

An analytical-numeric calculation method of extremely complicated integrals is presented. These integrals appear often in magnet soliton theory. The appropriate analytical continuation and a corresponding integration contour allow to reduce…

Computational Physics · Physics 2007-05-23 A. A. Zhmudsky