General contraction of Gaussian basis sets. I. Atomic natural orbitals for first‐ and second‐row atoms
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.451917
Reference15 articles.
1. Benchmark full configuration‐interaction calculations on H2O, F, and F−
2. The coupled pair functional (CPF). A size consistent modification of the CI(SD) based on an energy functional
3. The choice of Gaussian basis sets for molecular electronic structure calculations
4. Self‐Consistent Molecular‐Orbital Methods. I. Use of Gaussian Expansions of Slater‐Type Atomic Orbitals
5. General contraction of Gaussian atomic orbitals: Core, valence, polarization, and diffuse basis sets; Molecular integral evaluation
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