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Results: 1-9 |
Results: 9
A self-consistent charge density-functional based tight-binding method forpredictive materials simulations in physics, chemistry and biology
Authors: Frauenheim, T Seifert, G Elstner, M Hajnal, Z Jungnickel, G Porezag, D Suhai, S Scholz, R
Citation: T. Frauenheim et al., A self-consistent charge density-functional based tight-binding method forpredictive materials simulations in physics, chemistry and biology, PHYS ST S-B, 217(1), 2000, pp. 41-62
The accuracy of the pseudopotential approximation within density-functional theory
Authors: Porezag, D Pederson, MR Liu, AY
Citation: D. Porezag et al., The accuracy of the pseudopotential approximation within density-functional theory, PHYS ST S-B, 217(1), 2000, pp. 219-230
Adsorption and dissociation of hydrazoic acid on Al(111)
Authors: Porezag, D Pederson, MR Liu, AY
Citation: D. Porezag et al., Adsorption and dissociation of hydrazoic acid on Al(111), PHYS REV B, 61(19), 2000, pp. 13230-13234
Partial pressure of phosphorus and arsenic vapor measured by Raman scattering
Authors: Roth, K Kortus, J Herms, M Porezag, D Pederson, MR
Citation: K. Roth et al., Partial pressure of phosphorus and arsenic vapor measured by Raman scattering, JPN J A P 1, 38(2B), 1999, pp. 989-991
Optimization of Gaussian basis sets for density-functional calculations
Authors: Porezag, D Pederson, MR
Citation: D. Porezag et Mr. Pederson, Optimization of Gaussian basis sets for density-functional calculations, PHYS REV A, 60(4), 1999, pp. 2840-2847
Reconstructions of the Si-terminated (100) surface in beta-SiC: A theoretical study
Authors: Gutierrez, R Haugk, M Elsner, J Jungnickel, G Elstner, M Sieck, A Frauenheim, T Porezag, D
Citation: R. Gutierrez et al., Reconstructions of the Si-terminated (100) surface in beta-SiC: A theoretical study, PHYS REV B, 60(3), 1999, pp. 1771-1776
Importance of nonlinear core corrections for density-functional based pseudopotential calculations
Authors: Porezag, D Pederson, MR Liu, AY
Citation: D. Porezag et al., Importance of nonlinear core corrections for density-functional based pseudopotential calculations, PHYS REV B, 60(20), 1999, pp. 14132-14139
Stability and electronic structure of GaN nanotubes from density-functional calculations
Authors: Lee, SM Lee, YH Hwang, YG Elsner, J Porezag, D Frauenheim, T
Citation: Sm. Lee et al., Stability and electronic structure of GaN nanotubes from density-functional calculations, PHYS REV B, 60(11), 1999, pp. 7788-7791
Structural and vibrational properties of C-60 oligomers
Authors: Porezag, D Frauenheim, T
Citation: D. Porezag et T. Frauenheim, Structural and vibrational properties of C-60 oligomers, CARBON, 37(3), 1999, pp. 463-470
Risultati: 1-9 |