2013Advances in quantum chemistryRequires access

A Basis Sets Composed of Only 1s Slater Orbitals and 1s Gaussian Orbitals to Perform Molecular Calculations, SCF-LCAO Approach

Jorge Enrique Romero Pérez, Oscar E. Taurian, Juan C. Cesco, Ana Rosso, C. C. Denner, Carmina J. Alturria Lanzardo, F. S. Ortiz, Ahmed Bouferguène

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Key concepts: Linear combination of atomic orbitals, STO-nG basis sets, Slater-type orbital, Molecular orbital, Basis set, Cubic harmonic, Localized molecular orbitals, Molecular orbital theory

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