Ab initio energetics of some fission products (Kr, I, Cs, Sr and He) in uranium dioxide

Self-interaction correction to density-functional approximations for many-electron systems

John P. Perdew, Alex Zunger · Physical review. B, Condensed matter · 1981 · 20.5K citations · Full text

Total Energy, Quantum Science, Self-interaction Correction +15

Efficient pseudopotentials for plane-wave calculations

N. Troullier, José Luı́s Martins · Physical review. B, Condensed matter · 1991 · 15.9K citations

Materials Science, First-principles Norm-conserving Pseudopotentials, Transition Metal Chalcogenides +13

Relativistic separable dual-space Gaussian pseudopotentials from H to Rn

C. Hartwigsen, Stefan Goedecker, Jürg Hutter · Physical review. B, Condensed matter · 1998 · 4.3K citations · Full text

Pseudopotential methods in condensed matter applications

Warren E. Pickett · Computer Physics Reports · 1989 · 894 citations

Materials Science, Pseudopotential Methods, Engineering +5

The chemical state of the fission products in oxide fuels

H. Kleykamp · Journal of Nuclear Materials · 1985 · 799 citations

Fuel Cycle, Materials Science, Chemical Engineering +8