Theoretical study of helium insertion and diffusion in 3C-SiC

Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis

S. H. Vosko, L. Wilk, Marwan Nusair · Canadian Journal of Physics · 1980 · 20.4K citations · Full text

Quantum Liquid, Correlation Energy, Engineering +16

Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points

Graeme Henkelman, Hannes Jónsson · The Journal of Chemical Physics · 2000 · 9.1K citations

Numerical Analysis, Engineering, Mechanical Engineering +28

Efficacious Form for Model Pseudopotentials

Leonard Kleinman, D. M. Bylander · Physical Review Letters · 1982 · 5.6K citations

Numerical Analysis, Spectral Theory, Model Pseudopotentials +9

Reversible work transition state theory: application to dissociative adsorption of hydrogen

Gregory Mills, Hannes Jónsson, Gregory K. Schenter · Surface Science · 1995 · 2.3K citations · Full text

Engineering, Physics, Hydrogen Transition +8

Generalized norm-conserving pseudopotentials

D. R. Hamann · Physical review. B, Condensed matter · 1989 · 1.2K citations

Engineering, Variational Analysis, Norm (Mathematics) +17