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On the electronic structure of N2H2. A possible triplet ground state in diazines

✍ Scribed by G. Wagnière


Book ID
104791280
Publisher
Springer
Year
1973
Tongue
English
Weight
270 KB
Volume
31
Category
Article
ISSN
1432-2234

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Extended basis set calculations have been performed for the ground state of 0.12 using CI(SD) and the coupled pair functional (CPF) method, a size-consistent moditication of CI(SD). Special emphasis is ,&en to the discussion of (lj Scis saturation effects (up to g functions were included). a) effect