A systematic study of basis set effects inabinitioSCF calculations: Well‐tempered Gaussian‐type function basis set calculations on transition metal halides
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.450776
Reference11 articles.
1. Basis sets for molecular calculations
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3. Well-tempered GTF basis sets for the atoms K through χe
4. The well‐tempered GTF basis sets in calculations on the s2d n, s1d n+1, and d n+2 configurations of the first‐ and second‐row transition metal atoms
5. General contraction of Gaussian atomic orbitals: Core, valence, polarization, and diffuse basis sets; Molecular integral evaluation
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