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D. E. Ellis | Researchclopedia

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D. E. Ellis

Northwestern University

434

Works

18,029

Citations

60

h-index

228

i10-index

Research Topics

Advanced Chemical Physics Studies Rare-earth and actinide compounds Crystal Structures and Properties

Affiliations

Universidade Federal de Minas Gerais1987–1987

Northwestern University1970–2021

National Council for Scientific and Technological Development1991–1991

California Institute of Technology2007–2007

Saint-Gobain (France)1964–1964

Top Works

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

Evert Jan Baerends,D. E. Ellis,et al.

19733,162 citations

Electronic and Structural Properties of Oxides

Advanced Condensed Matter Physics

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

David Dubbeldam,Sofı́a Calero,et al.

20151,904 citations

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

Arne Rosén,D. E. Ellis,et al.

1976517 citations

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

G. S. Painter,D. E. Ellis

1970516 citations

Efficient and accurate expansion methods for molecules in local density models

B. Delley,D. E. Ellis

1982432 citations

Binding energy and electronic structure of small copper particles

B. Delley,D. E. Ellis,et al.

1983417 citations

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

F. W. Averill,D. E. Ellis

1973401 citations

The structure and chemistry of the TiO2-rich surface of SrTiO3 (001)

Natasha Erdman,Kenneth R. Poeppelmeier,et al.

2002376 citations

Exceptional Negative Thermal Expansion in Isoreticular Metal–Organic Frameworks

David Dubbeldam,Krista S. Walton,et al.

2007329 citations