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LCAO methods in the Xα formalism: A comparison of results for the F 2 molecule
International Journal Of Quantum ChemistryPeer ReviewedMintmire J. W.2009Journals
The LCAO‐ Xα method of Dunlap is compared to other recently developed methods using the Xα local density exchange potential for the F 2 system. The results indicate that the LCAO‐ Xα method is capable of finding results close to the Xα limit.
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