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Basis set superposition error in calculations of nonadditive effects in Li(NH3)n and Li(NH3)n+ (n=1–4) clusters

✍ Scribed by Krzysztof Mierzwicki; Zdzisław Latajka

Book ID
108311992
Publisher
Elsevier Science
Year
2000
Tongue
English
Weight
84 KB
Volume
325
Category
Article
ISSN
0009-2614

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## Abstract Correlated ab initio calculations on large systems, such as the popular MP2 (or RI‐MP2) method, suffer from the intramolecular basis set superposition error (BSSE). This error is typically manifested in molecules with folded structures, characterized by intramolecular dispersion interac