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© 2009

Quantal Density Functional Theory II

Approximation Methods and Applications

Book

Table of contents

  1. Front Matter
    Pages 1-15
  2. Viraht Sahni
    Pages 1-13
  3. Viraht Sahni
    Pages 35-51
  4. Viraht Sahni
    Pages 373-374

About this book

Introduction

This book is on approximation methods and applications of Quantal Density Functional Theory (QDFT), a new local effective-potential-energy theory of electronic structure. What distinguishes the theory from traditional density functional theory is that the electron correlations due to the Pauli exclusion principle, Coulomb repulsion, and the correlation contribution to the kinetic energy -- the Correlation-Kinetic effects --  are separately and explicitly defined. As such it is possible to study each property of interest as a function of the different electron correlations. Approximations methods based on the incorporation of different electron correlations, as well as a many-body perturbation theory within the context of QDFT, are developed. The applications are to the few-electron inhomogeneous electron gas systems in atoms and molecules, as well as to the many-electron inhomogeneity at metallic surfaces.

Keywords

Atom Atomic physics Condensed matter physics Density functional theory Molecular physics Quantum physics theory

Authors and affiliations

  1. 1.Brooklyn CollegeCity University of New YorkBrooklynU.S.A.

Bibliographic information

Industry Sectors
IT & Software

Reviews

From the reviews:

“QDFT II possesses an even greater expansiveness and richness of explanation that many readers will find very agreeable. … This book could serve two readerships. One would clearly be serious students and practitioners of density functional theories because QDFT II is replete with fresh ideas … . The other type of readership could very well be beginning students of the subject. … I recommended this volume to anyone with interests in or curiosities about density functional theories.” (Steven M. Valone, Journal of the American Chemical Society, Vol. 132 (32), 2010)