Incorrect Dissociation of CO in the Restricted Hartree–Fock Approximation
- 15 March 1970
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 52 (6) , 3100-3104
- https://doi.org/10.1063/1.1673444
Abstract
A restricted Hartree–Fock calculation using a large Slater-type basis was performed on CO at six internuclear distances from Re = 2.132 to R = 10.0 a.u. Values for several one-electron operators are reported. Results are discussed in terms of the incorrect dissociation of the function due to symmetry restrictions.Keywords
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