期刊
JOURNAL OF CHEMICAL PHYSICS
卷 148, 期 13, 页码 -出版社
AMER INST PHYSICS
DOI: 10.1063/1.5022669
关键词
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资金
- European Research Council [H2020/ERC, 648932]
- European Research Council (ERC) [648932] Funding Source: European Research Council (ERC)
The performance of functionals based on the idea of interpolating between the weak- and the strong-interaction limits the global adiabatic-connection integrand is carefully studied for the challenging case of noble-metal clusters. Different interpolation formulas are considered and various features of this approach are analyzed. It is found that these functionals, when used as a correlation correction to Hartree-Fock, are quite robust for the description of atomization energies, while performing less well for ionization potentials. Future directions that can be envisaged from this study and a previous one on main group chemistry are discussed. Published by AIP Publishing.
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