James R. Chelikowsky

Nonlocal pseudopotential calculations for the electronic structure of eleven diamond and zinc-blende semiconductors

James R. Chelikowsky, Marvin L. Cohen · Physical review. B, Solid state · 1976 · 2K citations

Engineering, Electronic Structure, Semiconductor Nanostructures +21

Finite-difference-pseudopotential method: Electronic structure calculations without a basis

James R. Chelikowsky, N. Troullier, Yousef Saad · Physical Review Letters · 1994 · 859 citations

Numerical Analysis, Transition Metal Chalcogenides, Engineering +14

Self-Purification in Semiconductor Nanocrystals

Gustavo M. Dalpian, James R. Chelikowsky · Physical Review Letters · 2006 · 664 citations

Higher-order finite-difference pseudopotential method: An application to diatomic molecules

James R. Chelikowsky, N. Troullier, Kesheng Wu et al. · Physical review. B, Condensed matter · 1994 · 536 citations

Numerical Analysis, Engineering, Computational Chemistry +16

Self-consistent pseudopotential calculations for Si (111) surfaces: Unreconstructed (1×1) and reconstructed (2×1) model structures

Michael Schlüter, James R. Chelikowsky, Steven G. Louie et al. · Physical review. B, Solid state · 1975 · 442 citations

Engineering, Self-consistent Pseudopotential Calculations, Chemistry +17