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Time-Dependent Density-Functional Theory – Concepts and Applications - Oxford Scholarship Online
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Time-Dependent Density-Functional Theory: Concepts and Applications

Carsten A. Ullrich


Time-dependent density-functional theory (TDDFT) is a quantum mechanical framework which describes the dynamics of interacting electronic many-body systems formally exactly and in a computationally efficient manner. This book presents the concepts of TDDFT at the graduate level. An overview is given of the current state of the art of the field, with many applications in physics, (bio)chemistry, and materials science. The book begins with a self-contained review of ground-state density-functional theory, followed by four main parts. The first part presents the formal framework of TDDFT, beginni ... More

Keywords: density-functional theory, Kohn-Sham equations, excitations, molecular dynamics, many-body theory, nanoscale transport, van der Waals interactions, excitons, plasmons

Bibliographic Information

Print publication date: 2011 Print ISBN-13: 9780199563029
Published to Oxford Scholarship Online: December 2013 DOI:10.1093/acprof:oso/9780199563029.001.0001


Affiliations are at time of print publication.

Carsten A. Ullrich, author
Department of Physics and Astronomy, University of Missouri - Columbia

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I The basic formalism of TDDFT

Part II Linear response and excitation energies

Part III Further developments

Part IV Special topics