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

2012/07/25 by Eugene Rothstein, Rothstein, E. V.
Computer Science · Mathematics · #FOS: Physical sciences #Iterative Methods for Nonlinear Equations #Mathematical Physics (math-ph) #Mathematical functions and polynomials #Matrix Theory and Algorithms

paper · pdf · doi:10.48550/arxiv.1207.5866

openalex publication_date 2012/07/25 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28

Abstract

In previous work, the necessary integrals arising from correlated wavefunctions were expressed in forms suitable for numerical integration. For the evaluation of r₁₂ and 1/r₁₂ integrals an analytic formula is derived. Combinatorial aspects of more than two electron integrals are discussed.

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