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A complete basis set model chemistry. VII. Use of the minimum population localization method

✍ Scribed by Montgomery, J. A.; Frisch, M. J.; Ochterski, J. W.; Petersson, G. A.


Book ID
120483455
Publisher
American Institute of Physics
Year
2000
Tongue
English
Weight
543 KB
Volume
112
Category
Article
ISSN
0021-9606

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Using the MP2 method and basis sets up to near Hartree-Fock limit (NHFL) quality selected to saturate the s, p, d and f shells, we have evaluated the validity of the counterpoise method (CP) as a way of correcting the basis set superposition errors (BSSEs) for hydrogen bonded systems for some of the