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Comparison of the variational and bound perturbation theories in dipole polarizability calculations of molecular complexes

โœ Scribed by Yu. F. Pedash; A. Yu. Semenov


Publisher
SP MAIK Nauka/Interperiodica
Year
1998
Tongue
English
Weight
295 KB
Volume
39
Category
Article
ISSN
0022-4766

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## Abstract Ground and excited singlet state dipole electric ฯ€ polarizabilities of a set of conjugated molecules are calculated. Second order perturbation theory is used in the Epsteinโ€“Nesbet and Mรถllerโ€“Plesset versions. Hรผckel and SCFโ€LCAOโ€MO are used alternatively as a basis. The Mรถllerโ€“Plessetโ€“S