First-principles study of the geometrical and electronic structures of (n=2–16) clusters

An all-electron numerical method for solving the local density functional for polyatomic molecules

B. Delley · The Journal of Chemical Physics · 1990 · 10.5K citations · Full text

Natural Sciences, Chemistry, Computational Chemistry +15

Electronic Shell Structure and Abundances of Sodium Clusters

W. D. Knight, Keith Clemenger, Walt A. de Heer et al. · Physical Review Letters · 1984 · 2.4K citations

Natural Sciences, Chemistry, Physics +9

Spin scaling of the electron-gas correlation energy in the high-density limit

Yue Wang, John P. Perdew · Physical review. B, Condensed matter · 1991 · 350 citations

Natural Sciences, Physics, Condensed Matter Physics +15

Evolution of the electronic structure and properties of neutral and charged aluminum clusters: A comprehensive analysis

B. K. Rao, Puru Jena · The Journal of Chemical Physics · 1999 · 350 citations

Natural Sciences, Chemistry, Physics +17

<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi mathvariant="italic">s</mml:mi></mml:math>-<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi mathvariant="italic">p</mml:mi></mml:math>Hybridization and Electron Shell Structures in Aluminum Clusters: A Photoelectron Spectroscopy Study

Xi Li, Hongbin Wu, Xue‐Bin Wang et al. · Physical Review Letters · 1998 · 342 citations

Natural Sciences, Chemistry, Physics +13