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Basis Sets and Pseudopotentials Basis Sets and Pseudopotentials

Basis Sets and Pseudopotentials - PowerPoint Presentation

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Uploaded On 2016-02-18

Basis Sets and Pseudopotentials - PPT Presentation

SlaterType Orbitals STO s N is a normalization constant a b and c determine the angular momentum ie L abc ζ is the orbital exponent It determines the size of the ID: 223397

functions basis core orbitals basis functions orbitals core set valence electron mcp sets orbital energy ecps function 31g consistent

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