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The inversion barrier in NH3

✍ Scribed by G. Campoy; A. Palma; L. Sandoval

Publisher
John Wiley and Sons
Year
2009
Tongue
English
Weight
290 KB
Volume
36
Category
Article
ISSN
0020-7608

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πŸ“œ SIMILAR VOLUMES

Equilibrium inversion barrier of NH3 fro
Equilibrium inversion barrier of NH3 from extrapolated coupled-cluster pair energies
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## Abstract The basis‐set convergence of singlet and triplet pair energies of coupled‐cluster theory including single and double excitations is accelerated by means of extrapolations based on the distinct convergence behaviors of these pairs. The new extrapolation procedure predicts a nonrelativist

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