Karsten Hannewald

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A large variety of gas phase conformations of the amino acids glycine, alanine, and cysteine is studied by numerically efficient semi-local gradient-corrected density functional theory calculations using a projector-augmented wave scheme and periodic boundary conditions. Equilibrium geometries, conformational energies, dipole moments, vibrational modes, and(More)
Electron doping turns semiconductors conductive even when they have wide fundamental band gaps. The degenerate electron gas in the lowest conduction-band states, e.g., of a transparent conducting oxide, drastically modifies the Coulomb interaction between the electrons and, hence, the optical properties close to the absorption edge. We describe these(More)
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