Correlated electronic ground state of the molecule
- 15 June 1992
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 45 (23) , 13703-13708
- https://doi.org/10.1103/physrevb.45.13703
Abstract
Ab initio correlation calculations for the molecule are reported. Details are compared with those of similar calculations on diamond and graphite. It is found that the binding energy of the molecule is smaller by 0.45 eV/atom than that of the solids. The correlation pattern is very similar to the one for graphite.
Keywords
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