Donald E Ellis

Donald E Ellis publication distribution in Materials Science in 2026

The chart shows the distribution of publications by all Research.com ranked scientists in the field of Materials Science in 2026. The highlighted bar marks where Donald E Ellis sits on this spectrum.

Donald E Ellis D-index placement in Materials Science in 2026

The chart shows the D-index (discipline H-index) distribution of Materials Science scientists ranked by Research.com in 2026. The highlighted bar marks where Donald E Ellis sits on this spectrum.

Research.com Recognitions

• 1975 - Fellow of American Physical Society (APS)
• 1969 - Fellow of Alfred P. Sloan Foundation

Overview

Best Publications

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

  E.J. Baerends;D.E. Ellis;P. Ros

  4136
  Citations

• RASPA: molecular simulation software for adsorption and diffusion in flexible nanoporous materials

  David Dubbeldam;Sofía Calero;Donald E. Ellis;Randall Q. Snurr

  1960
  Citations

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

  Donald E Ellis;Donald E Ellis;G. S. Painter

  941
  Citations

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

  A. Rosén;A. Rosén;Donald E Ellis;H. Adachi;H. Adachi;F. W. Averill;F. W. Averill

  636
  Citations

• Electronic Band Structure and Optical Properties of Graphite from a Variational Approach

  G. S. Painter;D. E. Ellis

  534
  Citations

• Efficient and accurate expansion methods for molecules in local density models

  B. Delley;Donald E Ellis

  520
  Citations

• An efficient numerical multicenter basis set for molecular orbital calculations: Application to FeCl4

  F. W. Averill;Donald E Ellis

  518
  Citations

• Binding energy and electronic structure of small copper particles

  B. Delley;D. E. Ellis;A. J. Freeman;E. J. Baerends

  481
  Citations

• The structure and chemistry of the TiO(2)-rich surface of SrTiO(3) (001).

  Natasha Erdman;Kenneth R. Poeppelmeier;Mark Asta;Oliver Warschkow

  451
  Citations

• Exceptional Negative Thermal Expansion in Isoreticular Metal–Organic Frameworks

  David Dubbeldam;Krista S. Walton;Donald E. Ellis;Randall Q. Snurr

  404
  Citations

• Relativistic molecular calculations in the Dirac–Slater model

  A. Rosen;A. Rosen;Donald E Ellis

  369
  Citations

• Ab Initio Calculation of the Electronic Structure and Optical Properties of Diamond Using the Discrete Variational Method

  G. S. Painter;D. E. Ellis;A. R. Lubinsky

  258
  Citations

• The structure of strontium-doped hydroxyapatite: an experimental and theoretical study.

  Unknown

  243
  Citations

• Defect structure studies of bulk and nano-indium-tin oxide

  G. B. González;Thomas O Mason;J. P. Quintana;O. Warschkow

  217
  Citations

• Surface structures of SrTiO3 (001): a TiO2-rich reconstruction with a c(4 x 2) unit cell.

  Natasha Erdman;Oliver Warschkow;Mark Asta;Kenneth R. Poeppelmeier

  188
  Citations

• Molecular cluster studies of binary alloys: LiAl

  D. E. Ellis;G. A. Benesh;E. Byrom

  188
  Citations

• Molecular cluster theory for chemisorption of first row atoms on nickel /100/ surfaces

  D.E. Ellis;D.E. Ellis;Hirohiko Adachi;F.W. Averill

  184
  Citations

• NATURE OF THE FRONTIER ORBITALS IN PHOSPHINE, TRIMETHYLPHOSPHINE, AND TRIFLUOROPHOSPHINE

  S.-X. Xiao;W. C. Trogler;D. E. Ellis;Z. Berkovitch-Yellin

  181
  Citations

• Band structure, intercalation, and interlayer interactions of transition-metal dichalcogenides: Ti S 2 and LiTi S 2

  Cyrus Umrigar;Donald E Ellis;Ding Sheng Wang;H. Krakauer

  179
  Citations

• π-π Interactions and bandwidths in "molecular metals". A chemical, structural, photoelectron spectroscopic, and Hartree-Fock-Slater study of monomeric and cofacially joined dimeric silicon phthalocyanines

  E. Ciliberto;K. A. Doris;W. J. Pietro;G. M. Reisner

  162
  Citations

• Metal-metal bonding in Cr-Cr and Mo-Mo dimers: Another success of local spin-density theory

  B. Delley;A. J. Freeman;Donald E Ellis

  161
  Citations