Concepedia

Effects from hydrogen bonds on water structure in (H3O)2[Mo6Cl8X6]·yH2O X=Cl (y=7), Br (y=6), or I (y=6)

Andreas Flemström, Tomas K. Hirsch, L. Sehlstedt, Sven Lidin, Lars Ojamäe

Solid State Sciences · 2002 · 18 citations · 12 references

DOI

Concepts

References

12

Special points for Brillouin-zone integrations

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

, , +6

Density-functional exchange-energy approximation with correct asymptotic behavior

Axel D. Becke · Physical review. A, General physics · 1988 · 53.5K citations

, , +17

Density-functional approximation for the correlation energy of the inhomogeneous electron gas

John P. Perdew · Physical review. B, Condensed matter · 1986 · 18.7K citations

, , +11

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

Accurate and simple density functional for the electronic exchange energy: Generalized gradient approximation

John P. Perdew · Physical review. B, Condensed matter · 1986 · 4.3K citations

, , +13