QUALITY: A program to assess basis set quality

DOI10.1016/S0010-4655(98)00063-0MaRDI QIDQ696763zbMATH OpenOpenAlexFDO

Authors J. A. Sordo

Publication date 12 September 2002

Published in Computer Physics Communications (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1016/s0010-4655(98)00063-0

zbMATH Keywords

fuzzy set theoryRoothan-Hartree-Fock calculations

Mathematics Subject Classification ID

Computational methods for problems pertaining to quantum theory (81-08) Atomic physics (81V45) Molecular physics (81V55)

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Cited in

(3)

• On basis set optimisation in quantum chemistry
• QUALITY
• Complete space quantum chemistry by multiresolution multiwavelet basis set

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