English

Derivation of Unified Analytic Electron Interaction Integrals over Slater Orbitals for Diatomic Molecules

Mathematical Physics 2012-07-26 v1 math.MP

Abstract

In previous work, the necessary integrals arising from correlated wavefunctions were expressed in forms suitable for numerical integration. For the evaluation of r12r_{12} and 1/r121/r_{12} integrals an analytic formula is derived. Combinatorial aspects of more than two electron integrals are discussed.

Keywords

Cite

@article{arxiv.1207.5866,
  title  = {Derivation of Unified Analytic Electron Interaction Integrals over Slater Orbitals for Diatomic Molecules},
  author = {E. V. Rothstein},
  journal= {arXiv preprint arXiv:1207.5866},
  year   = {2012}
}