Related papers: Analytical two-center integrals over Slater gemina…
This paper provides a new approach to derive various arbitrary high order finite difference formulae for the numerical differentiation of analytic functions. In this approach, various first and second order formulae for the numerical…
A simplified differential equations approach for Master Integrals is presented. It allows to express them, straightforwardly, in terms of Goncharov Polylogarithms. As a proof-of-concept of the proposed method, results at one and two loops…
The exchange-only optimized effective potential method is implemented with the use of Slater-type basis functions, seeking for an alternative to the standard methods of solution with some computational advantages. This procedure has been…
This paper introduces an efficient algorithm for computing the general oscillatory matrix functions. These computations are crucial for solving second-order semi-linear initial value problems. The method is exploited using the scaling and…
The two loop equal mass sunrise graph is considered in the continuous d-dimensional regularisation for arbitrary values of the momentum transfer. After recalling the equivalence of the expansions at d=2 and d=4, the second order…
A program for molecular calculations with B functions is reported and its performance is analyzed. All the one- and two-center integrals, and the three-center nuclear attraction integrals are computed by direct procedures, using previously…
We calculate the complete set of two-loop Master Integrals with two off mass-shell legs with massless internal propagators, that contribute to amplitudes of diboson $V_1V_2$ production at the LHC. This is done with the Simplified…
We introduce an extended Kepler-Coulomb quantum model in spherical coordinates. The Schr\"{o}dinger equation of this Hamiltonian is solved in these coordinates and it is shown that the wave functions of the system can be expressed in terms…
We introduce a set of special functions called multiple polyexponential integrals, defined as iterated integrals of the exponential integral $\text{Ei}(z)$. These functions arise in certain perturbative expansions of the local solutions of…
Applications of a method recently suggested by one of the authors (R.L.) are presented. This method is based on the use of dimensional recurrence relations and analytic properties of Feynman integrals as functions of the parameter of…
We present a novel route to constructing cost-efficient semi-empirical approximations for the non-additive kinetic energy in subsystem density functional theory. The developed methodology is based on the use of Slater determinants composed…
The scalar two-loop self-energy master diagram is studied in the case of arbitrary masses. Analytical results in terms of Lauricella- and Appell-functions are presented for the imaginary part. By using the dispersion relation a…
In this work, we introduce a novel numerical method for solving initial value problems associated with a given differential. Our approach utilizes a spline approximation of the theoretical solution alongside the integral formulation of the…
We describe the calculation of all planar master integrals that are needed for the computation of NNLO QCD corrections to the production of two off-shell vector bosons in hadron collisions. The most complicated representatives of integrals…
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…
Electron pairs have an illustrious history in chemistry, from powerful concepts to understanding structural stability and reactive changes, to the promise of serving as building blocks of quantitative descriptions of the electronic…
An alternative multipole expansion of the correlation term is derived. Modified spherical Bessel type functions which simplify as a summation of multiple orders of basic trigonometric functions are generated from this new method. We use…
The set of all electronic states that can be expressed as a single Slater determinant forms a submanifold, isomorphic to the Grassmannian, of the projective Hilbert space of wave functions. We explored this fact by using tools of Riemannian…
In the spirit of the Head-Gordon-Pople algorithm, we report vertical, transfer and horizontal recurrence relations for the efficient and accurate computation of four-electron integrals over Gaussian basis functions. Our recursive approach…
We calculate two-loop massive master integrals for $e^{+}e^{-}\rightarrow2\gamma$ in terms of generalized power series with respect to electron mass. The coefficients of this series are expressed via Goncharov's polylogarithms. Our approach…