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While the basis set has been derived with the third-order Douglas-Kroll method, the basis set is not an atomic natural orbital basis set. Instead, it is a minimal basis set optimized in restricted Hartree-Fock calculations.
The text was updated successfully, but these errors were encountered:
The ANO-DK3 basis set comes from J. Chem. Phys. 115, 4463 (2001).
While the basis set has been derived with the third-order Douglas-Kroll method, the basis set is not an atomic natural orbital basis set. Instead, it is a minimal basis set optimized in restricted Hartree-Fock calculations.
The text was updated successfully, but these errors were encountered: