About the overestimation of the basis set superposition error on interaction energy calculations for van der Waals systems
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.450658
Reference24 articles.
1. Studies in Molecular Structure. IV. Potential Curve for the Interaction of Two Helium Atoms in Single‐Configuration LCAO MO SCF Approximation
2. Repulsive Interaction between Two Ground-State Helium Atoms
3. Ab initio calculation of the helium‐helium X1Σg+ potential at intermediate and large separations. II. Changes in intra‐atomic correlation energy
4. Configuration interaction calculations of the helium pair potential including CI superposition corrections
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