Related papers: On the Evaluation of the electron repulsion integr…
We study the behaviour of total-energy supercell calculations for dipolar molecules and charged clusters. Using a cutoff Coulomb interaction within the framework of a plane-wave basis set formalism, with all other aspects of the method…
General theory of elliptic hypergeometric series and integrals is outlined. Main attention is paid to the examples obeying properties of the "classical" special functions. In particular, an elliptic analogue of the Gauss hypergeometric…
The unique property of Coulomb interaction in strict one-dimensional (1D) system is revealed that the Coulomb repulsion energy of paired electrons is divergent. As consequences, electrons in 1D system can not doubly occupy the same spatial…
A known general class of superintegrable systems on 2D spaces of constant curvature can be defined by potentials separating in (geodesic) polar coordinates. The radial parts of these potentials correspond either to an isotropic harmonic…
The first discussion of basis sets consisting of exponentially decaying Coulomb Sturmian functions for modelling electronic structures is presented. The proposed basis set construction selects Coulomb Sturmian functions using separate upper…
We investigate a quantum nonrelativistic system describing the interaction of two particles with spin 1/2 and spin 0, respectively. We assume that the Hamiltonian is rotationally invariant and parity conserving and identify all such systems…
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…
The Coulomb Green's function (GF) for non-relativistic charged particle in field of attractive Coulomb force is extended to describe the interaction of two non-relativistic electrons through repulsive Coulomb forces. Closed-form expressions…
The spinless Salpeter equation is the combination of relativistic kinematics with some static interaction potential. The nonlocal nature of the Hamiltonian resulting from this approximation renders difficult to obtain rigorous analytic…
We present a reciprocal space technique for the calculation of the Coulomb integral in two dimensions in systems with reduced periodicity, i.e., finite systems, or systems that are periodic only in one dimension. The technique consists in…
A construction of integrable hamiltonian systems associated with different graded realizations of untwisted loop algebras is proposed. Such systems have the form of Euler - Arnold equations on orbits of loop algebras. The proof of…
We calculate 3-loop master integrals for heavy quark correlators and the 3-loop QCD corrections to the $\rho$-parameter. They obey non-factorizing differential equations of second order with more than three singularities, which cannot be…
The true- and eccentric-anomaly parametrizations of the Kepler motion are generalized to quasiperiodic orbits by considering perturbations of the radial part of kinetic energy as a series in the negative powers of the orbital radius. A…
In previous work, the necessary integrals arising from correlated wavefunctions were expressed in forms suitable for numerical integration. For the evaluation of $r_{12}$ and $1/r_{12}$ integrals an analytic formula is derived.…
The simple method outlined in our earlier paper [B.Padhy, Orissa Journal of Physics, vol.19, No.1, p.1, February 2012] has been utilized here for analytic evaluation of three different five-electron atomic integrals with integrands…
A short review will be made of elliptic integrals, widely applied in GPS (Global Positioning System) communications (accounting for General Relativity Theory-effects), cosmology, Black hole physics and celestial mechanics. Then a novel…
The non-relativistic electronic Hamiltonian, H(a)= Hkin + Hne + aHee, extended with coupling strength parameter (a), allows to switch the electron-electron repulsion energy off and on. First, the easier a=0 case is solved and the solution…
Analytical expressions are derived for classical trajectories in repulsive Coulomb plus multi-step attractive potentials. Thereafter the closed form expressions are obtained for classical deflection functions. The expressions are expected…
In this study, the one-center expansion formulas in terms of complete orthonormal sets of -exponential type orbitals (-ETOs,) are established for the Slater type orbitals (STOs) and Coulomb-Yukawa like correlated interaction potentials…
Coulomb repulsion between two moving electrons loses its spherical symmetry due to relativistic effects. In presence of a uniform positive ion background this asymmetry uncovers an angular dependent attraction potential in the direction of…