On polarization functions for Gaussian basis sets
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DOI: 10.1007/s00894-020-04538-7
Abstract: In this work, we introduce a technique to choose polarization functions directly from the primitive set of Gaussian exponent without the necessity to optimize or even reoptimized them. For this purpose, initially, we employed Gaussian… read more here.
Keywords: technique; basis set; basis; gaussian basis ... See more keywords