Retrieving "Polarization Function" from the archives

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1. Quantum Chemistry

   Linked via "polarization functions"

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   The selection of the basis set significantly impacts both the computational cost and the accuracy of the results. Larger basis sets include more functions, better describing the electron density (core functions) and far from the nuclei (polarization functions). Basis set incompleteness error (BSIE) is a known limitation where the [ene…