The local electron affinity for non-minimal basis sets

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Abstract
A technique known as intensity filtering is introduced to select valence-like virtual orbitals for calculating the local electron affinity, EAL. Intensity filtering allows EAL to be calculated using semiempirical molecular orbital techniques that include polarisation functions. Without intensity filtering, such techniques yield spurious EAL values that are dominated by the polarisation functions. As intensity filtering should also be applicable for ab initio or density functional theory calculations with large basis sets, it also makes EAL available for these techniques.

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