Infrared intensities and Raman-scattering activities within density-functional theory.
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Biomedical subjects
D Porezag
Publications and source records attributed to D Porezag.
Density-functional-based construction of transferable nonorthogonal tight-binding potentials for B, N, BN, BH, and NH.
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Structure, stability, and vibrational properties of polymerized C60.
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Density-functional-based construction of transferable nonorthogonal tight-binding potentials for Si and SiH.
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Construction of tight-binding-like potentials on the basis of density-functional theory: Application to carbon.
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Structural properties of amorphous hydrogenated carbon. IV. A molecular-dynamics investigation and comparison to experiments.
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Stability, reconstruction, and electronic properties of diamond (100) and (111) surfaces.
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