Density Functional Theory I: Functionals and Effective Potentials

✍ Scribed by Matthias Ernzerhof, John P. Perdew, Kieron Burke (auth.), Prof. R. F. Nalewajski (eds.)

Publisher: Springer-Verlag Berlin Heidelberg
Year: 1996
Tongue: English
Leaves: 246
Series: Topics in Current Chemistry 180
Edition: 1
Category: Library

No coin nor oath required. For personal study only.

✦ Synopsis

Contents: Forewords by Professor R.G. Parr and Professor W. Kohn.-
M. Ernzerhof, J.P. Perdew, K. Burke, Density Functionals:Where Do They Come From, Why Do TheyWork?-
D.J.W. Geldart, Nonlocal Engergy Functionals:GradientExpansions andBeyond.-
A. Holas, N.H. March, Exchange and Correlation inDensityFunctional Theory ofAtoms and Molecules.-
R. van Leeuwen, O.V. Gritsenko. E.J. Baerends, Analysis andModelling ofAtomic and MolecularKohn-ShamPotentials.-
E.V. Ludeña, R. López-Boada, Local-Scaling TransformationVersion of DensityFunctionalTheory: Generation of DensityFunctionals.

✦ Table of Contents

Density functionals: Where do they come from, why do they work?....Pages 1-30
Nonlocal energy functions: Gradient expansions and beyond....Pages 31-55
Exchange and correlation in density functional theory of atoms and molecules....Pages 57-106
Analysis and modelling of atomic and molecular kohn-sham potentials....Pages 107-167
Local-scaling transformation version of density functional theory: Generation of density functionals....Pages 169-224

✦ Subjects

Organic Chemistry; Theoretical and Computational Chemistry; Computer Applications in Chemistry; Physical Chemistry

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