Advances in Quantum Chemistry: v. 21
Samuel B. Trickey(Editor)
Academic Press
Published on 1. September 1990
Book
Hardback
398 pages
978-0-12-034821-3 (ISBN)
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.
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.
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.
More details
Series
Language
English
Place of publication
San Diego
United States
Publishing group
Elsevier Science Publishing Co Inc
Target group
College/higher education
Professional and scholarly
Illustrations
index
Dimensions
Height: 225 mm
Width: 150 mm
Weight
743 gr
ISBN-13
978-0-12-034821-3 (9780120348213)
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Content
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.