Related papers: Two-center two-electron integrals with exponential…
We discuss the efficient computation of the auxiliary integrals that arise when resolutions of two-electron operators (specifically, the Coulomb and long-range Ewald operators) are employed in quantum chemical calculations. We derive a…
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…
Exact ground-state properties are presented by combining the diagonalization in the Fock space (and taking all hopping integrals and all two-site interactions) with the ab initio optimization of the Wannier functions. Electrons are…
The general formula for the interaction potential between two point electric charges which contains the lowest order corrections to the vacuum polarization is derived and investigated. Analytical derivation of this formula is based on the…
We investigate high-order harmonic spectra from aligned diatomic molecules in intense driving fields whose components have orthogonal polarizations. We focus on how the driving-field ellipticity influences structural interference patterns…
An eikonal expansion is used to provide systematic corrections to the eikonal approximation through order $1/k^2$, where $k$ is the wave number. Electron wave functions are obtained for the Dirac equation with a Coulomb potential. They are…
We present a semi-analytic calculation of the integrated double-emission eikonal function of two massive emitters whose momenta are at an arbitrary angle to each other. This result is needed for extending the nested soft-collinear…
Evaluating the total energy of an extended distribution of point charges, which interact through the Coulomb potential, is central to the study of condensed matter. With near ubiquity, the summation required is carried out using Ewald's…
It is well known that interatomic or intermolecular interactions driven by two-center electronic dipole-dipole correlations fall off rapidly with the inter-site distance. We show, however, that the effective strength of interatomic reaction…
A method for calculating the electronic levels in the compact superheavy nuclear quasi-molecules, based on solving the two-center Dirac equation using the multipole expansion of two-center potential, is developed. For the internuclear…
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…
A general new technique to solve the two-center problem with arbitrarily-orientated deformed realistic potentials is demonstrated, which is based on the powerful potential separable expansion method. As an example, molecular single-particle…
We present a unified framework for studying Coulomb interactions in arbitrary environments using macroscopic quantum electrodynamics on the basis of the electromagnetic Green's function. Our theory can be used to derive the Coulomb…
Methods for calculating lower bounds to the exact energy using the variance of the upper bound energy are discussed and explored. All the matrix elements of the Hamiltonian squared are collected and considered, and those for which no known…
We present a numerical integration scheme for evaluating the convolution of a Green's function with a screened Coulomb potential on the real axis in the GW approximation of the self energy. Our scheme takes the zero broadening limit in…
We derive a non-empirical, orbital-free density functional for the total energy of interacting electrons in two dimensions. The functional consists of a local formula for the interaction energy, where we follow the lines introduced by Parr…
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…
In the process of interatomic Coulombic electron capture, an incident free electron is captured at an atomic center $A$ and the transition energy is transferred radiationlessly over a rather large distance to a neighboring atom $B$ of…
The calculation of the two-loop corrections to the three-jet production rate and to event shapes in electron--positron annihilation requires the computation of a number of two-loop four-point master integrals with one off-shell and three…
The region very close to an electron ($r << r_0 = e^2/mc^2 \approx 2.8\times 10^{-13}$ cm) is, according to quantum electrodynamics, a seething maelstrom of virtual electron-positron pairs flashing in and out of existence. To take account…