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SCF MO calculations of polyene spectra

โœ Scribed by Leslie S. Forster

Book ID
104791728
Publisher
Springer
Year
1966
Tongue
English
Weight
158 KB
Volume
5
Category
Article
ISSN
1432-2234

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## Rcccivcd 10 Xovcmbcr 1069 Explicit expressions derived for the first. second and third derivatives of the SCF energy with respect to par:imcters which cnn be contxincd both in the one clcctron part of the Hamiltoninn nnd esplicitly in the basis functions. Scvcrnl useful applications arc propose