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On the application of canonical perturbation theory to floppy molecules

✍ Scribed by Sugny, Dominique; Joyeux, Marc

Book ID
118018681
Publisher
American Institute of Physics
Year
2000
Tongue
English
Weight
338 KB
Volume
112
Category
Article
ISSN
0021-9606

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Applicability of multireference many-bod
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✍ Jozef MΓ‘Ε‘ik; JΓ‘n Urban; Pavel Mach; Ivan Hubač πŸ“‚ Article πŸ“… 1997 πŸ› John Wiley and Sons 🌐 English βš– 191 KB πŸ‘ 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