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- W1980996963 abstract "Abstract Distributed universal even‐tempered basis sets have been developed over recent years that are capable of supporting Hartree–Fock energies to an accuracy approaching the sub‐μHartree level. These basis sets have also been exploited in correlation studies, in applications to polyatomic molecules, and in the calculation of electric properties, such as multipole moments, polarizabilities, and hyperpolarizabilities. Jorge and coworkers have also developed universal basis sets and have recently reported applications to diatomic molecular systems. In this article, we compare the molecular calculations reported by Jorge and coworkers with our previous studies. Particular attention is given to the degree of computational linear dependence associated with the various basis sets employed and the consequential effects of the accuracy of the calculated energies. © 2004 Wiley Periodicals, Inc. Int J Quantum Chem, 2005" @default.
- W1980996963 created "2016-06-24" @default.
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- W1980996963 date "2004-11-23" @default.
- W1980996963 modified "2023-09-30" @default.
- W1980996963 title "Computational linear dependence in molecular electronic structure calculations using universal basis sets" @default.
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- W1980996963 doi "https://doi.org/10.1002/qua.20275" @default.
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