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

Atomic Physics 2016-09-02 v1 Chemical Physics

Abstract

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 rijexp(λijrij)r_{ij} exp(-\lambda_{ij}r_{ij}), by employing the Fourier representation of exp(λijrij)/rijexp(-\lambda_{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.

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Cite

@article{arxiv.1609.00269,
  title  = {Analytic Evaluation of some 2-, 3- and 4- Electron Atomic Integrals Containing Exponentially Correlated Functions of $r_{ij}$},
  author = {Bholanath Padhy},
  journal= {arXiv preprint arXiv:1609.00269},
  year   = {2016}
}

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9 pages