Effective empirical corrections for basis set superposition error in the def2-SVPD basis: gCP and DFT-C
Author:
Funder
U.S. Department of Defense (DOD)
U.S. Department of Energy (DOE)
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/am-pdf/10.1063/1.4986962
Reference113 articles.
1. Non-empirical molecular orbital calculations on the protonation of carbon monoxide
2. The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors
3. Accurate calculation of the attractive interaction of two ground state helium atoms
4. Some Observations on Counterpoise Corrections for Explicitly Correlated Calculations on Noncovalent Interactions
5. Calculations for millions of atoms with density functional theory: linear scaling shows its potential
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