Consistent Gaussian basis sets of triple-zeta valence with polarization quality for solid-state calculations

Structural phase transition of Cu3N under high pressure

(2010) J.G. Zhao et al.   SOLID STATE COMMUNICATIONS

A MinMax self-consistent-field approach for auxiliary density functional theory

(2009) Andreas M. Köster et al.   JOURNAL OF CHEMICAL PHYSICS

Crystallographic structure refinement with quadrupolar nuclei: a combined solid-state NMR and GIPAW DFT example using MgBr2

(2009) Cory M. Widdifield et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Calculation of the lattice constant of solids with semilocal functionals

(2009) Philipp Haas et al.   PHYSICAL REVIEW B

Hybrid functionals applied to extended systems

(2008) M Marsman et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Reply to “Comment on ‘More accurate generalized gradient approximation for solids’”

(2008) Zhigang Wu et al.   PHYSICAL REVIEW B

Crystal structure of NaCl-type transition metal monocarbides MC (M=V, Ti, Nb, Ta, Hf, Zr), a neutron powder diffraction study

(2007) Kazumasa Nakamura et al.   Materials Science and Engineering B-Advanced Functional Solid-State Materials