Energetics of stepped and kinked surfaces of Rh, Pd and Cu from electronic structure calculations

On the Non-Orthogonality Problem Connected with the Use of Atomic Wave Functions in the Theory of Molecules and Crystals

Per‐Olov Löwdin · The Journal of Chemical Physics · 1950 · 3.2K citations

Natural Sciences, Chemistry, Physics +10

Special Points in the Brillouin Zone

D. J. Chadi, Marvin L. Cohen · Physical review. B, Solid state · 1973 · 2K citations

Natural Sciences, Physics, Condensed Matter Physics +13

Direct observation of standing wave formation at surface steps using scanning tunneling spectroscopy

Yukio Hasegawa, Phaedon Avouris · Physical Review Letters · 1993 · 633 citations

Natural Sciences, Materials Science, Physics +16

Applications of a tight-binding total-energy method for transition and noble metals: Elastic constants, vacancies, and surfaces of monatomic metals

Michael J. Mehl, D. A. Papaconstantopoulos · Physical review. B, Condensed matter · 1996 · 611 citations · Full text

Natural Sciences, Chemistry, Physics +17

Trends of the surface relaxations, surface energies, and work functions of the 4<i>d</i>transition metals

M. Methfessel, D. Hennig, Matthias Scheffler · Physical review. B, Condensed matter · 1992 · 569 citations

Natural Sciences, Materials Science, Physics +17