Furthmüller

发表

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set.

Kresse, Furthmüller, G. Kresse, 1996, Physical review. B, Condensed matter.

Ab initio calculations of the cohesive, elastic, and dynamical properties of CoSi2 by pseudopotential and all-electron techniques.

Wolf, Hafner, Stadler, 1996, Physical review. B, Condensed matter.

Characterization of carbon-carbon bonds on the SiC(001)c(2 x 2) surface.

Hafner, Kresse, Furthmüller, 1996, Physical review. B, Condensed matter.

Ab initio calculation of the structural and electronic properties of carbon and boron nitride using ultrasoft pseudopotentials.

Hafner, Kresse, Furthmüller, 1994, Physical review. B, Condensed matter.

Chemisorption of H on Pd(111): An ab initio approach with ultrasoft pseudopotentials.

Hafner, Kresse, Furthmüller, 1996, Physical review. B, Condensed matter.

Dimer reconstruction and electronic surface states on clean and hydrogenated diamond (100) surfaces.

Hafner, Kresse, Furthmüller, 1996, Physical review. B, Condensed matter.

Theory of the crystal structures of selenium and tellurium: The effect of generalized-gradient corrections to the local-density approximation.

Hafner, Kresse, Furthmüller, 1994, Physical review. B, Condensed matter.

Site-selective adsorption of C atoms on Al(111) surfaces.

Scheffler, Stumpf, Hafner, 1995, Physical review letters.