E. Wimmer

Optimization of Gaussian-type basis sets for local spin density functional calculations. Part I. Boron through neon, optimization technique and validation

Nathalie Godbout, Dennis R. Salahub, Jan Andzelm et al. · Canadian Journal of Chemistry · 1992 · 3K citations

Engineering, Part I. Boron, Magnetic Resonance +20

Total-energy all-electron density functional method for bulk solids and surfaces

M. Weinert, E. Wimmer, A. J. Freeman · Physical review. B, Condensed matter · 1982 · 999 citations

Engineering, Computational Chemistry, Electronic Structure +19

Density functional Gaussian-type-orbital approach to molecular geometries, vibrations, and reaction energies

Jan Andzelm, E. Wimmer · The Journal of Chemical Physics · 1992 · 960 citations

Engineering, Reaction Energies, Physics +15

A local density functional study of the structure and vibrational frequencies of molecular transition-metal compounds

Carlos Sosa, Jan Andzelm, Brad C. Elkin et al. · The Journal of Physical Chemistry · 1992 · 757 citations

Materials Science, Metal Chain Compound, Engineering +14

Prediction of Electronic Interlayer States in Graphite and Reinterpretation of Alkali Bands in Graphite Intercalation Compounds

M. Posternak, A. Baldereschi, A. J. Freeman et al. · Physical Review Letters · 1983 · 342 citations

Materials Science, Graphene Nanomeshes, Engineering +15