Polarization consistent basis sets Principles

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A hierarchy of polarization consistent basis sets, suitable for systematically improving Hartree-Fock and density functional energies is proposed. Compared to the correlation consistent basis sets, where the importance of the higher angular momentum functions decrease arithmetically, the polarization consistent basis set have the importance of the higher angular momentum functions decreasing roughly geometrically.
Original languageEnglish
JournalJournal of Chemical Physics
Volume115
Issue20
Pages (from-to)9113-9125
Number of pages13
ISSN0021-9606
DOIs
Publication statusPublished - 2001
Externally publishedYes

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