Related papers: Benchmark values for molecular three-center integr…
By extending the concept of Euler-angle rotations to more than three dimensions, we develop the systematics under rotations in higher-dimensional space for a novel set of hyperspherical harmonics. Applying this formalism, we determine all…
By the use of the variational method with exponential trial functions the upper and lower bounds of energy are calculated for a number of non-relativistic three-body Coulomb and nuclear systems. The formulas for calculation of upper and…
We present a new method to solve the nuclear density functional theory (DFT) equations using a two-center harmonic oscillator for Skyrme-like functionals, incorporating pairing and Coulomb interactions. The goal is to efficiently determine…
We consider the one-dimensional Dirac equation with the most general relativistic contact interaction supported on two points symmetrically located with respect to the origin. In order to determine the shape of the interaction, we use a…
We report state-of-the-art ab initio calculations of the potential energy curve for the $a^3\Sigma_u^+$ state of the lithium dimer conducted to achieve spectroscopic accuracy ($<$1cm$^{-1}$) without any prior adjustment to fit the…
In this paper, we present a framework for the analytic bootstrap of three-point energy correlators, a crucial observable in $\mathcal{N}=4$ super Yang-Mills theory and quantum chromodynamics (QCD). Our approach combines spherical contour…
A possible route to extract electronic and nuclear dynamics from molecular targets with attosecond temporal and nanometer spatial resolution is to employ recolliding electrons as `probes'. The recollision process in molecules is, however,…
We present an efficient algorithm for one- and two-component relativistic exact-decoupling calculations. Spin-orbit coupling is thus taken into account for the evaluation of relativistically transformed (one-electron) Hamiltonian. As the…
We derive distance-dependent estimators for two-center and three-center electron repulsion integrals over a short-range Coulomb potential, $\textrm{erfc}(\omega r_{12})/r_{12}$. These estimators are much tighter than one based on the…
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…
We propose a general approach to reducing basis set incompleteness error in electron correlation energy calculations. The correction is computed alongside the correlation energy in a single calculation by modifying the electron interaction…
When applying Hamiltonian operator splitting methods for the time integration of multi-species Vlasov-Maxwell-Landau systems, the reliable and efficient numerical approximation of the Landau equation represents a fundamental component of…
Following our work from the previous paper about the study of effective Dirac algebra and the metric of the simple, special case of relativistic hydrogen atom, this paper gives the complete metric study defined by the effective Dirac…
The Coulomb interaction between the two protons is included in the calculation of proton-deuteron elastic scattering, radiative proton-deuteron capture and two-body electromagnetic disintegration of ${}^3\mathrm{He}$. The hadron dynamics is…
We investigate the effects of long-ranged Coulomb interactions in a tilted Dirac semimetal in two dimensions by using the perturbative renormalization-group method. Depending on the magnitude of the tilting parameter, the undoped system can…
We present a fully self-consistent computational framework composed by Hartree-Fock plus ran- dom phase approximation where the spin-orbit and Coulomb terms of the interaction are included in both steps of the calculations. We study the…
The analytical relations in position, momentum and four-dimensional spaces are established for the expansion and one-range addition theorems of relativistic complete orthonormal sets of exponential type spinor wave functions and Slater…
The Dirac equation with the Coulomb potential is studied. It is shown that there exists a new invariant in addition to the known Dirac and Johnson-Lippman ones. The solution of the Dirac equation, using the generalized invariant, and…
We present the theory and implementation of a highly efficient relativistic third-order algebraic diagrammatic construction [ADC(3)] method based on a four-component (4c) Dirac-Coulomb (DC) Hamiltonian for the calculation of ionization…
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…