Concepedia

Deoxygenation of IrO2(110) surface: Core-level spectroscopy and density functional theory calculation

Wen‐Hung Chung, Chia-Ching Wang, Dah‐Shyang Tsai, Jyh‐Chiang Jiang, Yu‐Chang Cheng, Liang-Jen Fan, Yaw‐Wen Yang, Ying‐Sheng Huang

Surface Science · 2009 · 24 citations · 45 references

DOI

Concepts

References

45

Efficient iterative schemes for<i>ab initio</i>total-energy calculations using a plane-wave basis set

Georg Kresse, J. Furthmüller · Physical review. B, Condensed matter · 1996 · 120.5K citations

, , +15

From ultrasoft pseudopotentials to the projector augmented-wave method

Georg Kresse, Daniel P. Joubert · Physical review. B, Condensed matter · 1999 · 83.6K citations

, , +17

<i>Ab initio</i>molecular dynamics for liquid metals

Georg Kresse, J. Häfner · Physical review. B, Condensed matter · 1993 · 44.9K citations

, , +17

From molecules to solids with the DMol3 approach

B. Delley · The Journal of Chemical Physics · 2000 · 10.9K citations · Full text

, , +12

An all-electron numerical method for solving the local density functional for polyatomic molecules

B. Delley · The Journal of Chemical Physics · 1990 · 10.5K citations · Full text

, , +15