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- W2004385135 abstract "A formulation of the extension of the method of Kutzelnigg and Klopper, to include terms that are linear in the interelectronic distances in the Ansatz for the wavefunction, to general multiple-referece CI (r12-MR-CI) with the same basis set requirements as in the closed-shell single reference case, is presented. The implementation into existing direct CI programs is straightforward. The additional CPU time needed by the r12 part should be negligible. r12-MR-CI is readily extended to r12-MR-ACPF, which allows for accurate approximations of full-CI energies. This implies the possibility of accurately solving the electronic Schrödinger equation for medium-sized atoms and molecules." @default.
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- W2004385135 title "A formulation of multiple-reference CI with terms linear in the interelectronic distances" @default.
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- W2004385135 doi "https://doi.org/10.1016/0009-2614(93)89130-a" @default.
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