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- W2318347935 abstract "The cohesive energy, equilibrium lattice constant, and bulk modulus of Au, Ag, and Cu noble metals are computed by different van der Waals (vdW)--corrected density functional theory (DFT) methods, including vdW-DF, vdW-DF2, vdW-DF-cx, rVV10, and PBE-D. Two specifically designed methods are also developed in order to effectively include dynamical screening effects: the DFT/vdW-WF2p method, based on the generation of maximally localized Wannier functions, and the RPAp scheme (in two variants), based on a single-oscillator model of the localized electron response. Comparison with results obtained without explicit inclusion of van der Waals effects, such as with the local density approximation (LDA), PBE, PBEsol, or the hybrid PBE0 functional, elucidates the importance of a suitable description of screened van der Waals interactions even in the case of strong metal bonding. Many-body effects are also quantitatively evaluated within the RPAp approach." @default.
- W2318347935 created "2016-06-24" @default.
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- W2318347935 date "2016-07-18" @default.
- W2318347935 modified "2023-10-18" @default.
- W2318347935 title "Cohesive properties of noble metals by van der Waals–corrected density functional theory: Au, Ag, and Cu as case studies" @default.
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- W2318347935 cites W1982595063 @default.
- W2318347935 cites W1983462489 @default.
- W2318347935 cites W1988320534 @default.
- W2318347935 cites W1991286453 @default.
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- W2318347935 cites W2008423326 @default.
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- W2318347935 cites W2044100255 @default.
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- W2318347935 doi "https://doi.org/10.1103/physrevb.94.045124" @default.
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