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Analytic evaluation of two-center STO electron repulsion integrals via

Analytic evaluation of two-center STO electron repulsion integrals via 2025

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The document presents an analytic evaluation of two-center electron repulsion integrals using Slater-type orbitals (STOs) and ellipsoidal expansion. It addresses numerical stability issues in existing methods and proposes new techniques to enhance accuracy, including the use of recurrence relations and computer-assisted algebraic techniques. The study corrects and extends previous formulations, demonstrating their practical applicability across various STO screening parameters. The findings are supported by detailed computational strategies and results, contributing to the field of quantum chemistry.

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