Basis set convergence and performance of density functional theory including exact exchange contributions for geometries and harmonic frequencies
Author:
Publisher
Informa UK Limited
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics
Link
http://www.tandfonline.com/doi/pdf/10.1080/00268979500102841
Reference52 articles.
1. Density Functional Theory
2. Coupled-cluster approach to molecular structure and spectra: a step toward predictive quantum chemistry
3. Inhomogeneous Electron Gas
4. A Simplification of the Hartree-Fock Method
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