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- W2148790820 endingPage "34" @default.
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- W2148790820 abstract "The choice of basis set in quantum chemical calculations can have a huge impact on the quality of the results, especially for correlated ab initio methods. This article provides an overview of the development of Gaussian basis sets for molecular calculations, with a focus on four popular families of modern atom-centered, energy-optimized bases: atomic natural orbital, correlation consistent, polarization consistent, and def2. The terminology used for describing basis sets is briefly covered, along with an overview of the auxiliary basis sets used in a number of integral approximation techniques and an outlook on possible future directions of basis set design. © 2012 Wiley Periodicals, Inc." @default.
- W2148790820 created "2016-06-24" @default.
- W2148790820 creator A5008631269 @default.
- W2148790820 date "2012-10-29" @default.
- W2148790820 modified "2023-10-18" @default.
- W2148790820 title "Gaussian basis sets for molecular applications" @default.
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