Gaussian basis sets for use in correlated molecular calculations. VIII. Standard and augmented sextuple zeta correlation consistent basis sets for aluminum through argon
By T. Mourik, T. Dunning. 2000
290 citations recorded by the source corpus.
Subfields: Atomic and Molecular Physics, and Optics, Organic Chemistry
View Paper: https://www.semanticscholar.org/paper/26f4585ce00f4bfa950099d2dc47adf86e061e47
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In Atomic and Molecular Physics, and Optics
- Boris N. Khoromskij
- Venera Khoromskaia
- Reinhold Schneider
- Ivan V. Oseledets
- Wolfgang Hackbusch
- Heinz-Jürgen Flad
- Sergey V. Dolgov
- Dmitry V. Savostyanov
Citations in the corpus
- Modern methods and algorithms of quantum chemistry (2000, unknown): “R = 1 2 (r 2 + r 1 ) ; r = r 2 r 1 ; (14)”
- QTT Representation of the Hartree and Exchange Operators in Electronic Structure Calculations (2011, background): “In electronic structure calculations, the employment of analytically separable basis functions has a long history [5, 1].”
- An experimental and chemical kinetic modeling study of 1,3-butadiene combustion: Ignition delay time and laminar flame speed measurements (2018, methodology): “Geometry and frequency calculations for reactants, transition states, intermediates and products were carried out at the UWB97XD [36] level of theory using the aug-cc-pVTZ [37] basis set.”