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Application of the many-body perturbation theory to normal saturated hydrocarbons in the localized representation

✍ Scribed by Ede Kapuy; Ferenc Bartha; Ferenc Bogár; Cornelia Kozmutza


Publisher
Springer
Year
1987
Tongue
English
Weight
420 KB
Volume
72
Category
Article
ISSN
1432-2234

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The ground state as well as some low-lying excited states of the Ne q molecule are 2 calculated by means of the third-order multireference many-body perturbation theory with the ''full'' eight-orbital valence space using DZP and polarized valence TZ basis sets. The problem encountered with a large n