Large-scale atomic effective pseudopotential program including an efficient spin-orbit coupling treatment in real space

Fully relativistic pseudopotential formalism under an atomic orbital basis: spin–orbit splittings and magnetic anisotropies

(2012) R Cuadrado et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Atomic effective pseudopotentials for semiconductors

(2012) J. R. Cárdenas et al.   PHYSICAL REVIEW B

Discovery of a Novel Linear-in-kSpin Splitting for Holes in the 2DGaAs/AlAsSystem

(2010) Jun-Wei Luo et al.   PHYSICAL REVIEW LETTERS

ABINIT: First-principles approach to material and nanosystem properties

(2009) X. Gonze et al.   COMPUTER PHYSICS COMMUNICATIONS

Electronic excitations in nanostructures: an empirical pseudopotential based approach

(2008) Gabriel Bester   JOURNAL OF PHYSICS-CONDENSED MATTER

Quantum-size-induced electronic transitions in quantum dots: Indirect band-gap GaAs

(2008) Jun-Wei Luo et al.   PHYSICAL REVIEW B

Density functional perturbation theory with spin-orbit coupling: Phonon band structure of lead

(2008) Matthieu J. Verstraete et al.   PHYSICAL REVIEW B

Generating relativistic pseudo-potentials with explicit incorporation of semi-core states using APE, the Atomic Pseudo-potentials Engine

(2007) Micael J.T. Oliveira et al.   COMPUTER PHYSICS COMMUNICATIONS