Unified Analytic Electron Interaction Integrals Over Slater Orbitals for Diatomic Molecules

2011/04/19 by Eugene Rothstein, Rothstein, E. V.
Chemistry · Engineering · Physics and Astronomy · #Advanced Physical and Chemical Molecular Interactions #FOS: Physical sciences #Mathematical Physics (math-ph) #Molecular Junctions and Nanostructures #Quantum Physics (quant-ph) #Strongly Correlated Electrons (cond-mat.str-el) #Surface and Thin Film Phenomena

paper · pdf · doi:10.48550/arxiv.1104.3650

openalex publication_date 2011/04/19 · openalex created_date 2016/06/24 · openalex updated_date 2026/07/28

Abstract

A unified formula for analytical evaluation of two-center exchange, hybrid and coulombic type integrals is presented.

Related

• Derivation of Unified Analytic Electron Interaction Integrals over Slater Orbitals for Diatomic Molecules
• Evaluation of three-center two-electron repulsion integrals over Slater orbitals
• Performance of numerical approximation on the calculation of two-center\n two-electron integrals over non-integer Slater-type orbitals using elliptical\n coordinates
• Analytic Evaluation of two-electron Atomic Integrals involving Extended Hylleraas-CI functions with STO basis
• Methods for accurate calculations of multi-center integrals of squared Coulomb potentials for lower bounds to energy levels of molecular systems