Furthmüller J - Search Results

1

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

Kresse G, Furthmüller J. Kresse G, et al. Among authors: furthmuller j. Phys Rev B Condens Matter. 1996 Oct 15;54(16):11169-11186. doi: 10.1103/physrevb.54.11169. Phys Rev B Condens Matter. 1996. PMID: 9984901 No abstract available.

2

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

Furthmüller J, Hafner J, Kresse G. Furthmüller J, et al. Phys Rev B Condens Matter. 1994 Dec 1;50(21):15606-15622. doi: 10.1103/physrevb.50.15606. Phys Rev B Condens Matter. 1994. PMID: 9975925 No abstract available.

3

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

Furthmüller J, Hafner J, Kresse G. Furthmüller J, et al. Phys Rev B Condens Matter. 1996 Mar 15;53(11):7334-7351. doi: 10.1103/physrevb.53.7334. Phys Rev B Condens Matter. 1996. PMID: 9982181 No abstract available.

4

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

Stadler R, Wolf W, Podloucky R, Kresse G, Furthmüller J, Hafner J. Stadler R, et al. Among authors: furthmuller j. Phys Rev B Condens Matter. 1996 Jul 15;54(3):1729-1734. doi: 10.1103/physrevb.54.1729. Phys Rev B Condens Matter. 1996. PMID: 9986018 No abstract available.

5

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

Dong W, Kresse G, Furthmüller J, Hafner J. Dong W, et al. Among authors: furthmuller j. Phys Rev B Condens Matter. 1996 Jul 15;54(3):2157-2166. doi: 10.1103/physrevb.54.2157. Phys Rev B Condens Matter. 1996. PMID: 9986066 No abstract available.

6

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

Kresse G, Furthmüller J, Hafner J. Kresse G, et al. Among authors: furthmuller j. Phys Rev B Condens Matter. 1994 Nov 1;50(18):13181-13185. doi: 10.1103/physrevb.50.13181. Phys Rev B Condens Matter. 1994. PMID: 9975508 No abstract available.

7

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

Käckell P, Furthmüller J, Bechstedt F, Kresse G, Hafner J. Käckell P, et al. Among authors: furthmuller j. Phys Rev B Condens Matter. 1996 Oct 15;54(15):10304-10307. doi: 10.1103/physrevb.54.10304. Phys Rev B Condens Matter. 1996. PMID: 9984809 No abstract available.

8

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

Furthmüller J, Kresse G, Hafner J, Stumpf R, Scheffler M. Furthmüller J, et al. Phys Rev Lett. 1995 Jun 19;74(25):5084-5087. doi: 10.1103/PhysRevLett.74.5084. Phys Rev Lett. 1995. PMID: 10058679 No abstract available.

9

Supercell calculations on the substitutional and vacancy-interstitial pair geometries of chalcogen defects in Si.

Furthmüller J, Fähnle M. Furthmüller J, et al. Phys Rev B Condens Matter. 1992 Aug 15;46(7):3839-3848. doi: 10.1103/physrevb.46.3839. Phys Rev B Condens Matter. 1992. PMID: 10004109 No abstract available.

10

Origin of the different reconstructions of diamond, Si, and Ge(111) surfaces.

Bechstedt F, Stekolnikov AA, Furthmüller J, Käckell P. Bechstedt F, et al. Among authors: furthmuller j. Phys Rev Lett. 2001 Jul 2;87(1):016103. doi: 10.1103/PhysRevLett.87.016103. Epub 2001 Jun 15. Phys Rev Lett. 2001. PMID: 11461479

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