Bholanath Padhy | Searcharxiv

arXiv2016

Analytic Evaluation of Three Different Five-Electron Atomic Integrals Involving Exponentially Correlated Functions of $r_{ij}$ With $r_{ij}$'s Not Forming A Closed Loop

The simple method outlined in our earlier paper [B.Padhy, Orissa Journal of Physics, vol.19, No.1, p.1, February 2012] has been utilized here for analytic evaluation of three different five-electron atomic integrals with integrands involving products of s Slater-type orbitals and exponentially correlated functions of the form $r_{ij} exp(-λ_{ij} r_{ij})$. Only products of those $r_{ij}$'s which do not form a closed loop by themselves, are considered.

physics.atom-ph↗

arXiv2016

Analytic Evaluation of some 2-, 3- and 4- Electron Atomic Integrals Containing Exponentially Correlated Functions of $r_{ij}$

A simple method is outlined for analytic evaluation of the basic 2-electron atomic integral with integrand containing products of atomic s-type Slater orbitals and exponentially correlated function of the form $r_{ij} exp(-λ_{ij}r_{ij})$, by employing the Fourier representation of $exp(-λ_{ij}r_{ij})/r_{ij}$ without the use of either the spherical harmonic addition theorem or the Feynman technique. This method is applied to obtain closed-form expressions, in a simple manner, for certain other 2-,3- and 4-electron atomic integrals with integrands which are products of exponentially correlated functions and atomic s-type Slater orbitals.

physics.atom-ph↗