Assessment of a composite method based on selected density functional theory methods and complete basis set extrapolation formulas
Author:
Affiliation:
1. Instituto de Química, Universidade Estadual de Campinas Campinas São Paulo Brazil
2. Centro Regional Universitário de Espírito Santo do Pinhal, Espírito Santo do Pinhal São Paulo 13990‐000 Brazil
Funder
Coordenação de Aperfeiçoamento de Pessoal de Nível Superior
Fundação de Amparo à Pesquisa do Estado de São Paulo
Publisher
Wiley
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics
Link
https://onlinelibrary.wiley.com/doi/pdf/10.1002/qua.25892
Reference63 articles.
1. Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen
2. Gaussian basis sets for use in correlated molecular calculations. X. The atoms aluminum through argon revisited
3. Polarization consistent basis sets: Principles
4. Polarization consistent basis sets. II. Estimating the Kohn–Sham basis set limit
5. Estimating the Hartree—Fock limit from finite basis set calculations
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