Speeding up Hartree–Fock and Kohn–Sham calculations with first-order corrections
Author:
Affiliation:
1. Department of Physical Chemistry and Materials Science, Budapest University of Technology and Economics, P.O. Box 91, H-1521 Budapest, Hungary
Funder
National Research, Development and Innovation Office
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
https://aip.scitation.org/doi/pdf/10.1063/5.0041276
Reference72 articles.
1. Natural triple excitations in local coupled cluster calculations with pair natural orbitals
2. Explicitly correlated local coupled‐cluster methods using pair natural orbitals
3. Approaching the Basis Set Limit of CCSD(T) Energies for Large Molecules with Local Natural Orbital Coupled-Cluster Methods
4. Self-Consistent Equations Including Exchange and Correlation Effects
5. Density‐functional thermochemistry. III. The role of exact exchange
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