Advances in Quantum Chemistry: v. 21

Advances in Quantum Chemistry: v. 21

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Description

Surveys developments in quantum chemistry, with contributions from leading international researchers. Topics discussed include the matrix foundations of the density functional theory, the Gaussian-type orbitals approach to finite systems, and LDA applications to properties of periodic systems.
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Product details

  • Hardback | 398 pages
  • 150 x 225mm | 743g
  • Academic Press Inc
  • San Diego, United States
  • English
  • index
  • 0120348217
  • 9780120348213

Table of contents

The beginnings and some thoughts on the future, P.C.Hohenberg et al; density and density matrices in density functional theory, J.E.Harriman; matrix foundations of density functional theory - the importance of pure-state N-representability in the derivation of extended Kohn-Sham equations, E.V.Ludena and J.Keller; constrained-search formulation and recent co-ordinate scaling in density functional theory, M.Levy; density-functional theory of the band gap, M.Schluter and L.J.Sham; size-consistency, self-interaction correction, and derivative discontinuity in density functional theory, J.P.Perdew; density functional treatment of excited states, L.N.Oliveira; self-energy approach to quasiparticle energies using a density functional treatment of dielectric screening, M.S.Hybertsen and S.G.Louie; response functions and nonlocal approximations, D.C.Langreth and S.H.Vosko; density-gradient expansions, L.Kleinman and V.Sahni; magnetic fields and density functional theory, G.Vignale et al; time-dependent density-functional theory, W.Yang; integral formulation of density-functional theory, E.K.U.Gross and W.Kohn; integral formulation of density-functional theory, W.Yang; density functional reformulation of molecular orbital theories, J.Cioslowski; the Gausssian-type orbitals density-functional approach to finite systems, B.I.Dunlap and N.Rosch; local density functional theories of ionic and molecular solids, R.G.Gordon and R.LeSar; LDA applications to the properties of periodic systems, R.C.Albers.
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