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Optimization of Numerical Atomic Orbitals

Optimization of Numerical Atomic Orbitals. Eduardo Anglada Siesta foundation-UAM-Nanotec eduardo.anglada@uam.es eduardo.anglada@nanote c.es. Atomic Orbitals. Very efficient but they lack a systematic for convergence Main features: Size: Number of functions with the same l

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Optimization of Numerical Atomic Orbitals