منابع مشابه
The diagonal Born–Oppenheimer correction beyond the Hartree–Fock approximation
We report on evaluation of the diagonal Born–Oppenheimer correction ~DBOC! to the electronic energy with Hartree–Fock ~HF! and conventional correlated wave functions for general molecular systems. Convergence of both HF and configuration interaction ~CI! DBOC with the one-particle basis seems to be rather fast, with triple-z quality correlation consistent sets of Dunning et al. sufficiently com...
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ژورنال
عنوان ژورنال: Journal of Cosmology and Astroparticle Physics
سال: 2016
ISSN: 1475-7516
DOI: 10.1088/1475-7516/2016/09/028