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MnO+: a challenge for density functional theory methods |
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| Authors: | Charles W Bauschlicher Jr G L Gutsev |
| Institution: | (1) Mail Stop 230-3, Space Technology Division, NASA Ames Research Center, Moffett Field, CA 94035, USA, US;(2) Department of Chemistry, University of Virginia, Charlottesville, VA 22901, USA, US |
| Abstract: | |
| Keywords: | : Density functional theory – Complete-active-space self-consistent-field – Multireference configuration interaction – MnO+ |
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