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Using many-particle basis sets for electronic energy calculations of molecules

✍ Scribed by V. P. Morozov; K. G. Vinogradov

Book ID
110672092
Publisher
SP MAIK Nauka/Interperiodica
Year
1997
Tongue
English
Weight
331 KB
Volume
38
Category
Article
ISSN
0022-4766

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## m Bond function basis sets combined with the counterpoise procedure are used to calculate the molecular dissociation energies D,, of 24 diatomic molecules and ions. The calculated values of D,, are compared to those without bond functions and/or counterpoise corrections. The equilibrium bond le