Related papers: Benchmark values for molecular three-center integr…
A non-perturbative approach to the solution of the time-dependent, two-center Dirac equation is presented with a special emphasis on the proper treatment of the potential of the nuclei. In order to account for the full multipole expansion…
An electrodynamical coupled cluster (CC) methodology starting from a covariant formalism and an equal time approximation, and finally based on the Dirac-Fock picture of the electron and positron fields and Coulomb gauge, is given here. The…
We first give the solution for the local approximation of a four parameter family of generalized one-dimensional point interactions within the framework of non-relativistic model with three neighboring $\delta$ functions. We also discuss…
We obtain by invariance arguments the relativistic and non-relativistic invariant dynamical equations of a classical model of a spinning electron. We apply the formalism to a particular classical model which satisfies Dirac's equation when…
We present a general approach for evaluating a large variety of three-dimensional Fourier transforms. The transforms considered include the useful cases of the Coulomb and dipole potentials, and include situations where the transforms are…
For the first time the exact analytical expressions for the three-dimensional bound electron states in the Coulomb field of the chain consisting of positively charged ions, are obtained within the Dirac description, using the new spinor…
Approximate analytical solutions of the Dirac equation are obtained for some diatomic molecular potentials plus a tensor interaction with spin and pseudospin symmetries with any angular momentum. We find the energy eigenvalue equations in…
Ozdogan (Int. J. Quantum Chem., 92 (2003) 419) published formulas for evaluating the multielectron multicenter molecular integrals over Slater-type orbitals (STOs). It is demonstrated that the formulas presented in this work are not…
The spatially-dependent mass Dirac equation is solved exactly for attractive scalar and repulsive vector Coulomb potentials including a tensor interaction potential under the spin and pseudospin (p-spin) symmetric limits by using the…
The Coulomb interaction between the two protons is included in the calculation of three-nucleon hadronic and electromagnetic reactions using screening and renormalization approach. Calculations are done using integral equations in momentum…
Seeking for a relativistic generalisation of the non-relativistic Schroedinger equation, one very soon arrives at equations with a square-root operator by having applied the quantum mechanical correspondence principle to the formula of…
For general two-electron two-centre integrals over Slater-type orbitals (STOs), the use of the Neumann expansion for the Coulomb interaction potential yields infinite series in terms of few basic functions. In many important cases the…
The Douglas-Kroll transformed Dirac-Coulomb Hamiltonian is used to describe scalar-relativistic effects in solids. A Hartree-Fock approximation with periodic boundary conditions makes it feasible to use methods originally developed for…
We derive a classification of the self-adjoint extensions of the three-dimensional Dirac-Coulomb operator in the critical regime of the Coulomb coupling. Our approach is solely based upon the Kre{\u\i}n-Vi\v{s}ik-Birman extension scheme, or…
In interatomic Coulombic electron capture, the capture of a free electron at an atomic center is accompanied by the radiationless transfer of the excess energy to a neighboring atom of different species, leading to ionization of the latter.…
A fully analytical approach based on the equation of motion technique to investigate the spectral properties and orbital occupations in an interacting double quantum dot in equilibrium is presented. By solving a linear system for the…
We present a general method for determining screened Coulomb parameters in molecular assemblies, in particular organic molecular crystals. This allows us to calculate the interaction parameters used in a generalized Hubbard model…
Using the approach the modified Euler-Lagrange field equation together with the corresponding Seiberg-Witten maps of the dynamical fields, a noncommutative Dirac equation with a Coulomb potential is derived. We then find the noncommutative…
In this paper, we consider the Dirac-Coulomb equation for many-particles, to describe the interaction between electrons in the system having many electrons. The four-component wave function will expanding into a finite basis-set, using…
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.…