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A perturbation theory of isoelectronic molecules: Application to CO based on N2

โœ Scribed by Tai Yup Chang; W. Byers Brown

Book ID
104795386
Publisher
Springer
Year
1966
Tongue
English
Weight
757 KB
Volume
4
Category
Article
ISSN
1432-2234

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Applicability of multireference many-bod
Applicability of multireference many-body perturbation theory to the Ne2+ molecule
โœ Jozef Mรกลกik; Jรกn Urban; Pavel Mach; Ivan Hubaฤ ๐Ÿ“‚ Article ๐Ÿ“… 1997 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 191 KB ๐Ÿ‘ 2 views

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