Concepedia

Density functional study of structural and electronic properties of silane adsorbed Si(100) surface

Jiun Lin, Y.T. Kuo, Ming‐Hsien Lee, K.-H. Lee, Jianhua Chen

Journal of Molecular Structure THEOCHEM · 2000 · 10 citations · 31 references

DOI

Concepts

References

31

Special points for Brillouin-zone integrations

Hendrik J. Monkhorst, J.D. Pack · Physical review. B, Solid state · 1976 · 70.3K citations

, , +6

Density-functional theory of atoms and molecules

James D. Patterson · Annals of Nuclear Energy · 1989 · 12.6K citations

, , +12

Iterative minimization techniques for<i>ab initio</i>total-energy calculations: molecular dynamics and conjugate gradients

M. C. Payne, M. P. Teter, D. C. Allan et al. · Reviews of Modern Physics · 1992 · 9.6K citations

, , +16

Efficacious Form for Model Pseudopotentials

Leonard Kleinman, D. M. Bylander · Physical Review Letters · 1982 · 5.7K citations

, , +7

Norm-Conserving Pseudopotentials

D. R. Hamann, M. Schlüter, Chun-Yueh Chiang · Physical Review Letters · 1979 · 4.4K citations

, , +13