Quantal Density Functional Theory
This book deals with quantal density functional theory (QDFT) which is a time-dependent local effective potential theory of the electronic structure of matter. The treated time-independent QDFT constitutes a special case. In the 2nd edition, the theory is
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Quantal Density Functional Theory Second Edition
Quantal Density Functional Theory
Viraht Sahni
Quantal Density Functional Theory Second Edition
123
Viraht Sahni Brooklyn, NY USA
ISBN 978-3-662-49840-8 DOI 10.1007/978-3-662-49842-2
ISBN 978-3-662-49842-2
(eBook)
Library of Congress Control Number: 2016939990 © Springer-Verlag Berlin Heidelberg 2003, 2016 This work is subject to copyright. All rights are reserved by the Publisher, whether the whole or part of the material is concerned, specifically the rights of translation, reprinting, reuse of illustrations, recitation, broadcasting, reproduction on microfilms or in any other physical way, and transmission or information storage and retrieval, electronic adaptation, computer software, or by similar or dissimilar methodology now known or hereafter developed. The use of general descriptive names, registered names, trademarks, service marks, etc. in this publication does not imply, even in the absence of a specific statement, that such names are exempt from the relevant protective laws and regulations and therefore free for general use. The publisher, the authors and the editors are safe to assume that the advice and information in this book are believed to be true and accurate at the date of publication. Neither the publisher nor the authors or the editors give a warranty, express or implied, with respect to the material contained herein or for any errors or omissions that may have been made. Printed on acid-free paper This Springer imprint is published by Springer Nature The registered company is Springer-Verlag GmbH Berlin Heidelberg
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In Memoriam My beloved mother and father, Hema and Harbans Lal
Preface to the Second Edition
The idea of writing a second edition within slightly more than a decade of the publication of the first is a consequence of the considerable new understandings of Quantal Density Functional Theory (Q–DFT) achieved over this period. But there have also been further insights into Schrödinger theory, and to the significance of the first theorems of Hohenberg-Kohn and Runge-Gross density functional theory (DFT). The book is still comprised of the three principal components: a description of Schrödinger theory from the new perspective of the ‘Quantal Newtonian’ second and first laws for the individual electron; traditional Hohenberg-Kohn, Runge-Gross, and Kohn-Sham density functional theory; and Q– DFT together with applications to explicate the theory, and the physical insights it provides into traditional DFT, Slater theory, and local effective potential energy theory in general. However, each component has been revised to incorporate the new understandings. Then there is the new material on the extension of Q–DFT to the added presence of an external magnetostatic field. It was the attempt to extend the theory to the presence of magnetic fields that forced the reexamination of both tradi
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