Kohn—Sham bond lengths and frequencies calculated with accurate quadrature and large basis sets
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference31 articles.
1. Inhomogeneous Electron Gas
2. Self-Consistent Equations Including Exchange and Correlation Effects
3. Density functional Gaussian‐type‐orbital approach to molecular geometries, vibrations, and reaction energies
4. Density‐functional thermochemistry. I. The effect of the exchange‐only gradient correction
5. A comparative study of density functional models to estimate molecular atomization energies
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