An investigation of conductivity in metal-substituted phthalocyanine Langmuir-Blodgett films

Self-consistent molecular Hartree—Fock—Slater calculations I. The computational procedure

Evert Jan Baerends, D. E. Ellis, P. Ros · Chemical Physics · 1973 · 3.2K citations

Natural Sciences, Chemistry, Physics +12

Discrete Variational Method for the Energy-Band Problem with General Crystal Potentials

D. E. Ellis, G. S. Painter · Physical review. B, Solid state · 1970 · 847 citations

Natural Sciences, Materials Science, Physics +17

Calculations of molecular ionization energies using a self-consistent-charge Hartree–Fock–Slater method

Arne Rosén, D. E. Ellis, H. Adachi et al. · The Journal of Chemical Physics · 1976 · 517 citations

Natural Sciences, Chemistry, Physics +17

Efficient and accurate expansion methods for molecules in local density models

B. Delley, D. E. Ellis · The Journal of Chemical Physics · 1982 · 435 citations · Full text

Natural Sciences, Chemistry, Physics +16

Chemical, spectral, structural, and charge transport properties of the "molecular metals" produced by iodination of nickel phthalocyanine

Charles J. Schramm, Raymond P. Scaringe, Djordje Stojaković et al. · Journal of the American Chemical Society · 1980 · 406 citations

Natural Sciences, Chemistry, Materials Science +16