Related papers: Two-center two-electron integrals with exponential…
We show that the energy of a perturbed system can be fully recovered from the unperturbed system's electron density. We derive an alchemical integral transform by parametrizing space in terms of transmutations, the chain rule and…
The treatment of the electron-nucleus interaction based on the Mott differential cross section was extended to account for effects due to screened Coulomb potentials, finite sizes and finite rest masses of nuclei for electrons above 200 keV…
We consider a pair of dipoles for which direct electrostatic dipole-dipole interactions may be significantly larger than the coupling to transverse radiation. We derive a master equation using the Coulomb gauge, which naturally enables us…
Formulas are presented for the recursive generation of four-body integrals in which the integrand consists of arbitrary integer powers (>= -1) of all the interparticle distances r_ij, multiplied by an exponential containing an arbitrary…
Photoionization of an atom $A$, in the presence of a neighboring atom $B$, can proceed via resonant excitation of $B$ with subsequent energy transfer to $A$ through two-center electron-electron correlation. We demonstrate that this…
We reconsider the two-loop electron self-energy in quantum electrodynamics. We present a modern calculation, where all relevant two-loop integrals are expressed in terms of iterated integrals of modular forms. As boundary points of the…
We apply the method of unitary transformations to a model two-nucleon potential and construct from it an effective potential in a subspace of momenta below a given cut-off $\Lambda$. The S-matrices in the full space and in the subspace are…
We present a precise fully relativistic numerical solution of the two-center Coulomb problem. The special case of unit nuclear charges is relevant for the accurate description of the ${\rm H}_2^+$ molecular ion and its isotopologues,…
The two-particle irreducible (2PI) effective action theories are employed to study the strongly fluctuating electron systems, under the formalism of the two-dimensional Hubbard model. We obtain the corresponding quantum 2PI effective action…
An approximate relativistic two-component Hamiltonian for use in molecular electronic structure calculations is derived in the form of a sum of fixed atom-centered kinetic and spin-orbit operators added to the non-relativistic Hamiltonian.…
The contour integrals, occurring in the arbitrary-order phase-integral quantization conditions given in a previous paper, are in the first- and third-order approximations expressed in terms of complete elliptic integrals in the case that…
New method of calculation of master integrals using differential equations and asymptotical expansion is presented. This method leads to the results exact in space-time dimension $D$ having the form of the convergent power series. As an…
The calculation of exclusive observables beyond the one-loop level requires elaborate techniques for the computation of multi-leg two-loop integrals. We discuss how the large number of different integrals appearing in actual two-loop…
A model-operator approach to fully relativistic calculations of the nuclear recoil effect on energy levels in many-electron atomic systems is worked out. The one-electron part of the model operator for treating the normal mass shift beyond…
Absolute two-photon detachment cross sections and photoelectron angular distribution are calculated for halogen negative ions within lowest-order perturbation theory. The Dyson equation method is used to obtain the outer np ground-state…
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…
A closed form expression for the three-electron Hylleraas integral involving the inverse quadratic power of one inter-particle coordinate is obtained, and recursion relations are derived for positive powers of other coordinates. This result…
We investigate the existence of resonances for two-centers Coulomb systems with arbitrary charges in two dimensions, defining them in terms of generalised complex eigenvalues of a non-selfadjoint deformation of the two-centers Schr\"odinger…
An alternative methodology to evaluate two-electron-repulsion integrals based on numerical approximation is proposed. Computational chemistry has branched into two major fields with methodologies based on quantum mechanics and classical…
A new estimator for three-center two-particle Coulomb integrals is presented. Our estimator is exact for some classes of integrals and is much more efficient than the standard Schwartz counterpart due to the proper account of distance…