| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5390117 | Chemical Physics Letters | 2006 | 6 Pages |
Abstract
Several high-level ab initio methods were employed in studies of the narrow singlet-triplet separation of the cyclic form of nickel dioxide. The results obtained with the LR-CCSD(T) approach are in agreement with those produced by the MRCISD and DFT methods.
Related Topics
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Physical and Theoretical Chemistry
Authors
J. Song, E. Aprá, Y.G. Khait, M.R. Hoffmann, K. Kowalski,