Simple technique to obtain correlated energy curves: LiH calculations
- 1 January 1981
- journal article
- research article
- Published by Wiley in International Journal of Quantum Chemistry
- Vol. 19 (1) , 1-10
- https://doi.org/10.1002/qua.560190102
Abstract
The possibility of applying the half‐projected Hartree–Fock method together with the Coulomb hole model to obtain cofrelated potential‐energy curves is investigated. Here we report calculations performed on the LiH molecule. The results show that this combined technique can provide potential curves very near to the experimental ones with a similar effort to that involved in the Hartree–Fock calculations.Keywords
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