Ebook: Density Functional Theory I: Functionals and Effective Potentials
- Genre: Chemistry
- Tags: Organic Chemistry, Theoretical and Computational Chemistry, Computer Applications in Chemistry, Physical Chemistry
- Series: Topics in Current Chemistry 180
- Year: 1996
- Publisher: Springer-Verlag Berlin Heidelberg
- City: Berlin ; New York
- Edition: 1
- Language: English
- pdf
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.
Content: Density functionals: Where do they come from, why do they work? / M. Ernzerhof, J.P. Perdew, K. Burke -- Nonlocal energy functionals: gradient expansions and beyond / D.J.W. Geldart -- Exchange and correlations in density functional theory of atoms and molecules / A. Holas, N.H. March -- Analysis and modelling of atomic and molecular Kohn-Sham Potentials / R. van Leeuwen, O.V. Gritsenko, E.J. Baerends -- Local-scaling transformation version of density functional theory: generation of density functionals / E.V. Ludeña, R. López-Boada
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.
Content: Density functionals: Where do they come from, why do they work? / M. Ernzerhof, J.P. Perdew, K. Burke -- Nonlocal energy functionals: gradient expansions and beyond / D.J.W. Geldart -- Exchange and correlations in density functional theory of atoms and molecules / A. Holas, N.H. March -- Analysis and modelling of atomic and molecular Kohn-Sham Potentials / R. van Leeuwen, O.V. Gritsenko, E.J. Baerends -- Local-scaling transformation version of density functional theory: generation of density functionals / E.V. Ludeña, R. López-Boada
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