Concepedia

Theoretical study of hydrogenation process of formate on clean and Zn deposited Cu(1 1 1) surfaces

Yoshitada Morikawa, Keiji Iwata, K. Terakura

Applied Surface Science · 2001 · 256 citations · 23 references

DOI

Concepts

References

23

Generalized Gradient Approximation Made Simple

John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text

, , +16

Self-Consistent Equations Including Exchange and Correlation Effects

W. Kohn, L. J. Sham · Physical Review · 1965 · 63.2K citations · Full text

, , +15

Soft self-consistent pseudopotentials in a generalized eigenvalue formalism

David Vanderbilt · Physical review. B, Condensed matter · 1990 · 22.9K citations

, , +13

Efficient pseudopotentials for plane-wave calculations

N. Troullier, José Luı́s Martins · Physical review. B, Condensed matter · 1991 · 16.1K citations

, , +14

Pseudopotentials that work: From H to Pu

Giovanni B. Bachelet, D. R. Hamann, M. Schlüter · Physical review. B, Condensed matter · 1982 · 3.4K citations

, , +17