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Effective account of 2p–2hexcitations in molecular calculations by the equation-of-motion method

✍ Scribed by A. V. Glushkov; N. G. Serbov; S. V. Ambrosov; V. É. Orlova; G. M. Dormostuchenko; O. V. Troitskaya


Book ID
110563840
Publisher
SP MAIK Nauka/Interperiodica
Year
1995
Tongue
English
Weight
538 KB
Volume
36
Category
Article
ISSN
0022-4766

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Results of molecular orbital (MO) calculations by the complete neglect of differential overlap (CNDO/2) method on 50 small molecules are reported. The summation of calculated atomic polarizabilities are equated with molecular polarizabilities, and these are compared with experimentally determined Va