Simpler is often better: Computational efficiency of explicitly correlated two-electron basis sets generated by the regularized Krylov sequences of Nakatsuji
Author:
Affiliation:
1. Institute of Physics, University of Szczecin, Wielkopolska 15, 70-451 Szczecin, Poland
Funder
Narodowe Centrum Nauki
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.5054365
Reference25 articles.
1. Perspective: Explicitly correlated electronic structure theory for complex systems
2. Theory and application of explicitly correlated Gaussians
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4. Explicitly Correlated Electrons in Molecules
5. Second-order Møller-Plesset perturbation theory with terms linear in the interelectronic coordinates and exact evaluation of three-electron integrals
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