| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5385276 | Chemical Physics Letters | 2010 | 4 Pages |
Abstract
⺠Valence vs. core-valence basis sets in core-valence correlation calculations. ⺠Causes and effects of the basis set superposition error (BSSE). ⺠Anomalous behavior of calculated quantities can be eliminated via BSSE correction. ⺠Striking examples and striking statistics of misuse of good but inappropriate basis sets.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Demeter Tzeli, Athanassios A. Tsekouras,