Curve Crossings and Constraints in Molecular-Orbital Correlations
- 12 June 1978
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 40 (24) , 1560-1563
- https://doi.org/10.1103/physrevlett.40.1560
Abstract
The unexpected crossing of molecular-orbital energy curves recently observed by Fortner et al. for slightly asymmetric multiply charged collision systems is explained in the framework of a Hartree-Fock theory with a constraint enforcing unequal charge sharing between the subsystems.Keywords
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