Pi-Electron Correlation in the Carbon Negative Ion Valence State
- 1 February 1965
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 42 (3) , 1027-1032
- https://doi.org/10.1063/1.1696038
Abstract
A configuration‐interaction treatment has been carried out for the carbon negative ion in the 1s22s2p4(V3) valence state. Starting with the Hartree—Fock atom and treating only the two 2pz electrons, 0.617 eV or an estimated 80% of the correlation energy in the 2pz valence state geminal is accounted for. Some implications for pi‐electron theory are discussed.Keywords
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