Fully optimized contracted Gaussian basis sets for atoms Li to Kr
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.463096
Reference19 articles.
1. The choice of Gaussian basis sets for molecular electronic structure calculations
2. Basis sets for molecular calculations
3. Basis set selection for molecular calculations
4. General contraction of Gaussian atomic orbitals: Core, valence, polarization, and diffuse basis sets; Molecular integral evaluation
5. Self‐Consistent Molecular Orbital Methods. XIV. An Extended Gaussian‐Type Basis for Molecular Orbital Studies of Organic Molecules. Inclusion of Second Row Elements
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