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Second Edition Wolfram Koch, Max C. Holthausen  \nCopyright © 2001 Wiley-VCH Verlag GmbH  \nISBNs: 3-527-30372-3 (Softcover); 3-527-60004-3 (Electronic)  \nWolfram Koch, Max C. Holthausen  \nA Chemist’s Guide to  \nDensity Functional Theory  \nSecond Edition  \nA Chemist’s Guide to Density Functional Theory. Second Edition Wolfram Koch, Max C. Holthausen  \nCopyright © 2001 Wiley-VCH Verlag GmbH  \nISBNs: 3-527-30372-3 (Softcover); 3-527-60004-3 (Electronic)  \nFurther Reading from Wiley-VCH and John Wiley & Sons  \nP. Comba/T. W. Hambley  \nMolecular Modeling of Inorganic Compounds, Second Edition  \n2000, approx. 250 pages with approx. 200 figures and a CD-ROM with an interactive tutorial. Wiley-VCH.  \nISBN 3-527-29915-7  \nH.-D. Höltje/G. Folkers  \nMolcular Modeling. Basic Priniciples and Applications  \n1997, 206 pages. Wiley-VCH.  \nISBN 3-527-29384-1  \nF. Jensen  \nIntroduction to Computational Chemistry  \n1998, 454 pages. Wiley.  \nISBN 0-471-98425-6  \nK. B. Lipkowitz/D. B. Boyd (Eds.)  \nReviews in Computational Chemistry, Vol. 13  \n1999, 384 pages. Wiley.  \nISBN 0-471-33135-X  \nM. F. Schlecht  \nMolecular Modeling on the PC  \n1998, 763 pages. Wiley-VCH.  \nISBN 0-471-18467-1  \nP. von Schleyer (Ed.)  \nEncyclopedia of Computational Chemistry  \n1998, 3580 pages. Wiley.  \nISBN 0-471-96588-X  \nJ. Zupan/J. Gasteiger  \nNeural Networks in Chemistry and Drug Design  \n1999, 400 pages. Wiley-VCH.  \nISBNs 3-527-29779-0 (Softcover), 3-527-29778-2 (Hardcover)  \nA Chemist’s Guide to Density Functional Theory. Second Edition Wolfram Koch, Max C. Holthausen  \nCopyright © 2001 Wiley-VCH Verlag GmbH  \nISBNs: 3-527-30372-3 (Softcover); 3-527-60004-3 (Electronic)  \nWolfram Koch, Max C. Holthausen  \nA Chemist’s Guide to  \nDensity Functional Theory  \nSecond Edition  \nWeinheim · New York · Chichester · Brisbane · Singapore · Toronto  \nA Chemist’s Guide to Density Functional Theory. Second Edition Wolfram Koch, Max C. Holthausen  \nCopyright © 2001 Wiley-VCH Verlag GmbH ISBNs: 3-527-30372-3 (Softcover); 3-527-60004-3 (Electronic)  \nProf. Dr. Wolfram Koch Gesellschaft Deutscher Chemiker (German Chemical Society) Varrentrappstraße 40–42  \nD-60486 Frankfurt Germany  \nDr. Max C. Holthausen Fachbereich Chemie Philipps-Universität Marburg Hans-Meerwein-Straße D-35032 Marburg Germany  \nThis book was carefully produced. Nevertheless, authors and publisher do not warrant the information contained therein to be free of errors. Readers are advised to keep in mind that statements, data, illustrations, procedural details or other items may inadvertently be inaccurate.  \nLibrary of Congress Card No.: applied for  \nBritish Library Cataloguing-in-Publication Data: A catalogue record for this book  \nis available from the British Library  \nDie Deutsche Bibliothek – CIP-Cataloguing-in-Publication Data: A catalogue record for this book is available from the Deutsche Bibliothek ISBN 3-527-30422-3 (Hardcover)  \n3-527-30372-3 (Softcover)  \n© WILEY-VCH Verlag GmbH, D-69469 Weinheim (Federal Republic of Germany), 2001 Printed on acid-free paper  \nAll rights reserved (including those of translation into other languages) . No part of this book may be reproduced in any form – by photoprinting, microfilm, or any other means – nor transmitted or translated into a machine language without written permission from the publishers. Registered names, trademarks, etc. used in this book, even when not specifically marked as such are not to be considered unprotected bylaw.  \nComposition: Text-und Software-Service Manuela Treindl, D-93059 Regensburg  \nPrinting: Strauss Offsetdruck GmbH, D-69509 Mörlenbach  \nBookbinding: Großbuchbinderei J. Schäffer, D-67269 Grünstadt Printed in the Federal Republic of Germany  \nA Chemist’s Guide to Density Functional Theory. Second Edition Wolfram Koch, Max C. Holthausen  \nCopyright © 2001 Wiley-VCH Verlag GmbH  \nISBNs: 3-527-30372-3 (Softcover); 3-527-60004-3 (Electronic)  \nForeword  \nIt is a truism that in the past decad","cbCaig4dG6vUgrN7","https://ap.wps.com/l/cbCaig4dG6vUgrN7","pdf",3215002,306,"English","# Foreword\n## DFT’s rise from peripheral status\n## Accuracy and computational economy\n## Misunderstandings in the Kohn–Sham framework\n## Coverage of density functionals and properties","[{\"question\":\"Why does the foreword say DFT became a practical choice for chemists?\",\"answer\":\"It attributes DFT’s appeal to its often excellent accuracy and the computational economy of DFT-based calculations, making it natural and practical.\"},{\"question\":\"What misunderstandings about Kohn and Sham does the foreword mention?\",\"answer\":\"It notes misunderstandings regarding the one-determinantal status of the Kohn–Sham approach and uneasiness about how molecular orbitals are interpreted, sometimes viewed as mathematical constructs rather than meaningful chemical/physical objects.\"},{\"question\":\"What does the foreword emphasize about the book’s coverage?\",\"answer\":\"It emphasizes timely, up-to-date discussion of recent successes and failures of density functionals, along with extensive coverage of property evaluation stimulated by time-dependent DFT methods.\"}]","A Chemist’s Guide to Density Functional Theory - Second Edition - Preface | PDF",1789975604,771]