相关论文: Recursion relations for Hylleraas three-electron i…
Multi-configurational approaches yield universal wave function parameterizations that can qualitatively well describe electronic structures along reaction pathways. For quantitative results, multi-reference perturbation theory is required…
We illustrate the use of recursion relations in the computation of certain one-loop helicity amplitudes containing an arbitrary number of gauge bosons. After a brief review of the recursion relations themselves, we discuss the resolution of…
The electron and photon transport processes in spectroscopy techniques described by the invariant embedding theory is here revisited. We report a convergence method to obtain closed analytical solutions to the 3D integro-differential…
We survey the results of a long-term study of the process of radiative recombination. A rigorous theory of nonrelativistic electron radiative recombination with a hydrogen-like ion is used to calculate the total cross section of the…
The three-loop corrections to the potential of two heavy quarks are computed. Analytic results for the most complicated master integrals are presented.
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…
New recursion relations for the Riemann zeta function are introduced. Their derivation started from the standard functional equation. The new functional equations have both real and imaginary increment versions and can be applied over the…
We report an extension of the source imaging method for analyzing three-dimensional sources from three-dimensional correlations. Our technique consists of expanding the correlation data and the underlying source function in spherical…
The correlation energy of the homogeneous three-dimensional interacting electron gas is calculated using the variational and fixed-node diffusion Monte Carlo methods, with trial functions that include backflow and three-body correlations.…
Recent trends of ab initio studies and progress in methodologies for electronic structure calculations of strongly correlated electron systems are discussed. The interest for developing efficient methods is motivated by recent discoveries…
Integral relations and transformation rules are used to obtain, out of an asymptotic solution, a new group of four pairs of solutions to the double-confluent Heun equation. Each pair presents the same series coefficients but has solutions…
Algorithms used for the reconstruction and identification of electrons in the central region of the ATLAS detector at the Large Hadron Collider (LHC) are presented in this paper; these algorithms are used in ATLAS physics analyses that…
A method for increasing the accuracy of configuration interaction (CI) calculations of molecules and other electronic systems is proposed. The energy defect of a given calculation is associated with the electron pair origin of…
Exploratory variational pseudopotential density functional calculations are performed for the electronic properties of many-electron systems in the 3D cartesian coordinate grid (CCG). The atom-centered localized gaussian basis set,…
From the literature it is known that orthogonal polynomials as the Jacobi polynomials can be expressed by hypergeometric series. In this paper, the authors derive several contiguous relations for terminating multivariate hypergeometric…
We present a closed-form solution for n-th term of a general three-term recurrence relation with arbitrary given n-dependent coefficients. The derivation and corresponding proof are based on two approaches, which we develop and describe in…
The recursion and path-integral methods are applied to analytically study the electronic structure of a neutral $C_{60}$ molecule. We employ a tight-binding Hamiltonian which considers both the $s$ and $p$ valence electrons of carbon. From…
We present a method which computes many-electron energies and eigenfunctions by a full configuration interaction which uses a basis of atomistic tight-binding wave functions. This approach captures electron correlation as well as atomistic…
The methods which are actively used for electronic structure calculations of low-lying states of heavy- and superheavy-element compounds are briefly described. The advantages and disadvantages of calculations with the Dirac-Coulomb-Breit…
The calculation of interaction integrals is a bottleneck for the treatment of many-body quantum systems due to its high numerical cost. We conduct configuration interaction calculations of the few-electron states confined in III-V…