Concepedia

Theoretical investigation of the ultrafast dissociation of core-ionized water and uracil molecules immersed in liquid water

C R Stia, Marie‐Pierre Gaigeot, Rodolphe Vuilleumier, O A Fojón, M.-A. Hervé du Penhoat, M. F. Politis

The European Physical Journal D · 2010 · 10 citations · 42 references

DOI

Concepts

References

42

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

Chengteh Lee, Weitao Yang, Robert G. Parr · Physical review. B, Condensed matter · 1988 · 100.1K citations

, , +17

Density-functional exchange-energy approximation with correct asymptotic behavior

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

, , +17

Efficient pseudopotentials for plane-wave calculations

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

, , +14

Unified Approach for Molecular Dynamics and Density-Functional Theory

Roberto Car, Michele Parrinello · Physical Review Letters · 1985 · 10.7K citations · Full text

, , +15

Towards an assessment of the accuracy of density functional theory for first principles simulations of water

Jeffrey C. Grossman, Eric Schwegler, Erik W. Draeger et al. · The Journal of Chemical Physics · 2003 · 561 citations

, , +17