Markus Mayer

Density functional study of small molecules and transition-metal carbonyls using revised PBE functionals

Alexei V. Matveev, Markus Staufer, Markus Mayer et al. · International Journal of Quantum Chemistry · 1999 · 195 citations

New Functionals, Engineering, Theoretical Inorganic Chemistry +16

Relevance of relativistic exchange-correlation functionals and of finite nuclei in molecular density-functional calculations

Markus Mayer, Oliver D. Häberlen, Notker Rösch · Physical Review A · 1996 · 91 citations

Total Energy, Relativistic Exchange-correlation Functionals, Finite Nuclei +15

A two-component variant of the Douglas–Kroll relativistic linear combination of Gaussian-type orbitals density-functional method: Spin–orbit effects in atoms and diatomics

Markus Mayer, Sven Krüger, Notker Rösch · The Journal of Chemical Physics · 2001 · 87 citations

Electron Density, Spin-orbit Effects, Engineering +15

Cathodoluminescence and Transmission Electron Microscopy Study of the Influence of Crystal Defects on Optical Transitions in GaN

G. Salviati, M. Albrecht, C. Zanotti-Fregonara et al. · physica status solidi (a) · 1999 · 87 citations

Wide-bandgap Semiconductor, Optical Materials, Engineering +17

Ground state dynamics of NO3: Multimode vibronic borrowing including thermal effects

Markus Mayer, Lorenz S. Cederbaum, Horst Köppel · The Journal of Chemical Physics · 1994 · 83 citations

Charge Excitations, Engineering, X 2A2′ +19