Functionals and effective potentials

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書誌事項

Functionals and effective potentials

volume editor, R.F. Nalewajski ; with contributions by E.J. Baerends ... [et al.]

(Topics in current chemistry = Fortschritte der chemischen Forschung, 180 . Density functional theory ; 1)

Springer-Verlag, c1996

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注記

Includes bibliographical references and index

内容説明・目次

内容説明

This volume discusses a variety of topics in the field of density functional theory, including where density functionals come from and why they work, nonlocal energy functionals, and exchange and correlation in density functional theory of atoms and molecules.

目次

Density functionals: Where do they come from, why do they work?.- Nonlocal energy functions: Gradient expansions and beyond.- Exchange and correlation in density functional theory of atoms and molecules.- Analysis and modelling of atomic and molecular kohn-sham potentials.- Local-scaling transformation version of density functional theory: Generation of density functionals.

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