Assessment of interaction-strength interpolation formulas for gold and silver clusters
作者： P. Gori-Giorgi , E. Fabiano , S. Giarrusso , F. Della Sala
DOI: 10.1063/1.5022669
关键词: Statistical physics 、 Ionization 、 Interaction strength 、 Group (periodic table) 、 Interpolation
摘要: The performance of functionals based on the idea interpolating between weak and strong-interaction limits global adiabatic-connection integrand is carefully studied for challenging case noble-metal clusters. Different interpolation formulas are considered various features this approach analyzed. It found that these functionals, when used as a correlation correction to Hartree-Fock, quite robust description atomization energies, while performing less well ionization potentials. Future directions can be envisaged from study previous one main group chemistry discussed.
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