Related papers: Solution of the two-center Dirac equation with 20 …
This research note documents new developments regarding finite-element discretizations of the relativistic Beliaev-Budker Coulomb collision operator and the nonrelativistic Landau operator. Where energy conservation in a finite-element…
We study a two-grid strategy for decoupling the time-dependent Poisson-Nernst-Planck equations describing the mass concentration of ions and the electrostatic potential. The computational system is decoupled to smaller systems by using…
Exact solutions are found to the Dirac equation for a combination of Lorentz scalar and vector Coulombic potentials with additional non-Coulombic parts. An appropriate linear combination of Lorentz scalar and vector non-Coulombic…
Effective potentials of the relativistic m\alpha^6 order correction for the ground state of the Coulomb two-center problem are calculated. They can be used to evaluate the relativistic contribution of that order to the energies of hydrogen…
We extend the class of QM problems which permit for quasi-exact solutions. Specifically, we consider planar motion of two interacting charges in a constant uniform magnetic field. While Turbiner and Escobar-Ruiz (2013) addressed the case of…
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…
The two-center two-electron Coulomb and hybrid integrals arising in relativistic and nonrelativistic ab-initio calculations of molecules are evaluated over the non-integer Slater-type orbitals via ellipsoidal coordinates. These integrals…
Herein, we present analytical solutions for the electronic energy eigenvalues of the hydrogen molecular ion H2+, namely the one-electron two-fixed-center problem. These are given for the homonuclear case for the countable infinity of…
Resonance fluorescence of laser-driven highly charged ions is studied in the relativistic regime by solving the time-dependent master equation in a multi-level model. Our ab initio approach based on the Dirac equation allows for…
We present the formulation and implementation of triples correction scheme to the relativistic equation-of-motion coupled-cluster method for ionization potential. Both full and partial triples correction schemes are implemented using the…
The use of Slater-type spinor orbitals in algebraic solution of the Dirac equation is investigated. The one- and two-center integrals constitute the matrix elements arising in generalized eigenvalue equation for one-electron atoms and…
The Dirac equation for an electron in two spatial dimensions in the Coulomb and homogeneous magnetic fields is an example of the so-called quasi-exactly solvable models. The solvable parts of its spectrum was previously solved from the…
We report an implementation of the core-valence separation approach to the 4-component relativistic Hamiltonian based equation-of-motion coupled-cluster with singles and doubles theory (CVS-EOM-CCSD), for the calculation of relativistic…
In this paper, we are concerned with the numerical solution for the backward fractional Feynman-Kac equation with non-smooth initial data. Here we first provide the regularity estimate of the solution. And then we use the backward Euler and…
We introduce \texttt{featom}, an open source code that implements a high-order finite element solver for the radial Schr\"odinger, Dirac, and Kohn-Sham equations. The formulation accommodates various mesh types, such as uniform or…
The time-dependent Dirac equation can be solved exactly for ionization induced by ultrarelativistic heavy ion collisions. Ionization calculations are carried out in such a framework for a number of representative ion-ion pairs. For each…
We present a new exactly solvable quantum problem for which the Schroedinger equation allows for separation of variables in oblate spheroidal coordinates. Namely, this is the quantum mechanical two Coulomb centers problem for the case of…
The dynamic structure factor ${\tilde S}({\bf k},\omega)$ and the two-particle distribution function $g({\bf r},t)$ of ions in a Coulomb crystal are obtained in a closed analytic form using the harmonic lattice (HL) approximation which…
We consider a single particle which is bound by a central potential and obeys the Dirac equation in d dimensions. We first apply the asymptotic iteration method to recover the known exact solutions for the pure Coulomb case. For a…
We report the general implementation of the relativistic equation-of-motion coupled-cluster method to calculate double ionization spectra (DI-EOMCC) of atomic and molecular systems. As a first application, this method is employed to…