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Explicit Functions of the Interelectron Distance

The singularity in the interelectron Coulomb potential r 1 creates a cusp in the exact solution of the Schrodinger equation, [Pg.109]

The development of these explicit-rjj methods has yielded a database of benchmark results for small polyatomic molecules. These calculations are listed as MP2-R12 and CCSD(T)-R12 in our tables. We have selected the version called MP2-R12/A as a benchmark reference for our study of the convergence to the MP2 limit. This is the version that Klopper et al. found to agree best with our interference effect. The close agreement with extrapolations of one-electron basis set expansions justifies this choice. [Pg.110]


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Explicitness

Interelectronic distances

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