Exchange energy in the local Airy gas approximation

• The Airy gas model of the edge electron gas is used to construct an exchange-energy functional that is an alternative to those obtained in the local-density and generalized-gradient approximations. Test calculations for rare-gas atoms, molecules, solids,

Ämnesord

NATURVETENSKAP  -- Fysik (hsv//swe)

NATURAL SCIENCES  -- Physical Sciences (hsv//eng)

Nyckelord

GENERALIZED GRADIENT APPROXIMATION; DENSITY-FUNCTIONAL-THEORY; CHARGE-DENSITY; ALL-ELECTRON; SEMICONDUCTORS; SURFACES; ACCURATE

Publikations- och innehållstyp

ref (ämneskategori)

art (ämneskategori)