Related papers: Singular Hylleraas three-electron integrals
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…
Recursion relations for Hylleraas three-electron integral are obtained in a closed form by using integration by parts identities. Numerically fast and well stable algorithm for the calculation of the integral with high powers of…
An improved algorithm to evaluate the nonrelativistic three-electron Hylleraas-Configuration Interaction (Hy-CI) kinetic energy integrals over Slater orbitals and the Hamiltonian in Hylleraas coordinates is shown. The resulting analytical…
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…
The technique of quantum electrodynamics (QED) calculations of energy levels in the helium atom is reviewed. The calculations start with the solution of the Schr\"odinger equation and account for relativistic and QED effects by perturbation…
We make use of a Hylleraas-type wave function to derive an exact analytical model to quantify correlation in two-electron atomic/ionic systems and subsequently employ it to examine the role of inter-electronic repulsion in affecting (i) the…
The electron repulsion integrals over the Slater-type orbitals with non-integer principal quantum numbers are considered. These integrals are useful in both non-relativistic and relativistic calculations of many-electron systems. They…
Highly accurate nonrelativistic ground-state wave function and energy of the lithium atom is obtained in the Hylleraas basis set. The leading relativistic corrections,as represented by Breit-Pauli Hamiltonian, are obtained in fair agreement…
Various properties of the general two-center two-electron integral over the explicitly correlated exponential function are analyzed for the potential use in high precision calculations for diatomic molecules. A compact one dimensional…
The leading relativistic and QED corrections to the ground state energy of the three-body system (epe) are calculated numerically using a Hylleraas correlated basis set. The accuracy of the nonrelativistic variational ground state wave…
Some typical kinetic energy integrals which arise in the application of extended Hylleraas-configuration interaction (E-Hy-CI) function in the framework of Rayleigh-Ritz method of variation, have been evaluated analytically for two-electron…
Extensive variational computations are reported for the ground state energy of the non-relativistic two-electron atom. Several different sets of basis functions were systematically explored, starting with the original scheme of Hylleraas.…
Three dimensional nonlinear wave interactions have been analytically described. The procedure under interest can be applied to three dimensional quasilinear systems of first order, whose hydrodynamic reductions are homogeneous…
In this work we propose a novel composite method for accurate calculation of the energies of many-electron atoms. The dominant contribution to the energy (pair energies) are calculated by using explicitly correlated factorisable coupled…
In this perspective, the various measures of electron correlation used in wavefunction theory, density functional theory and quantum information theory are briefly reviewed. We then focus on a more traditional metric based on dominant…
A ${\cal PT }$-symmetric model for three interacting wave guides is investigated. Each wave guide is represented by an attractive $\delta$-function potential being in equidistant positions. The two outer potentials are complex describing…
Euler angles determining rotations of a system as a whole are conveniently separated in three-particle basis functions. Analytic integration of matrix elements over Euler angles is done in a general form. Results for the Euler angle…
In this work, we carefully study the energy eigen-values and splitting of heavy quarkonia as there exist $1/r^3$ and $\delta^3(\vec r)$ singular terms in the potential which make a direct numerical solution of the Schr\"{o}dinger equation…
The combined fine and hyperfine structure of the $2^3P$ states in $^3$He is calculated within the framework of nonrelativistic quantum electrodynamics. The calculation accounts for the effects of order $m\alpha^6$ and increases the accuracy…
The Hylleraas coordinates $s=r_{1}+r_{2}$, $t=r_{1}-r_{2}$, $u=|{\bf r}_{1}-{\bf r}_{2}|$ are the natural coordinates for the determination of properties of the Helium atom, the positive ions of its isoelectronic sequence, and the negative…