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Unmodeled perturbation effect on the orbit determination accuracy

✍ Scribed by B.T. Bakshian; R.R. Nazirov; P.E. Eliasberg

Publisher
Elsevier Science
Year
1981
Tongue
English
Weight
193 KB
Volume
8
Category
Article
ISSN
0094-5765

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✍ Dmitri G. Fedorov; Kazuya Ishimura; Toyokazu Ishida; Kazuo Kitaura; Peter Pulay; 📂 Article 📅 2007 🏛 John Wiley and Sons 🌐 English ⚖ 833 KB

## Abstract The three‐body energy expansion in the fragment molecular orbital method (FMO) was applied to the 2nd order Møller–Plesset theory (MP2). The accuracy of both the two and three‐body expansions was determined for water clusters, alanine __n__‐mers (α‐helices and β‐strands) and one synthet