Density Functional Theory III: Interpretation, Atoms, Molecules and Clusters

✍ Scribed by Viraht Sahni (auth.), Prof. R. F. Nalewajski (eds.)

Publisher: Springer-Verlag Berlin Heidelberg
Year: 1996
Tongue: English
Leaves: 193
Series: Topics in Current Chemistry 182
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.-
V. Sahni, Quantum-Mechanical Interpretation of Density FunctionalTheory.-
A. Berces and T. Ziegler, Application of Density Functional Theory to theCalculation of Force Fields and Vibrational Frequenciesof Transition Metal Complexes.-
R.O. Jones, Structure and Spectroscopy of Small Atomic Clusters.-
J.A. Alonso and L.C. Balbás, Density Functional Theory of Clusters of NontransitionMetals Using Simple Models.

✦ Table of Contents

Quantum-mechanical interpretation of density functional theory....Pages 1-39
Application of density functional theory to the calculation of force fields and vibrational frequencies of transition metal complexes....Pages 41-85
Structure and spectroscopy of small atomic clusters....Pages 87-118
Density functional theory of clusters of nontransition metals using simple models....Pages 119-171

✦ Subjects

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

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