Ideas Of Quantum Chemistry: Volume 2: Interactions

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Ideas of Quantum Chemistry, Volume Two: Interactions highlights the motions and systems in quantum chemistry and the models and tools used to assess them, thus giving detailed insights into the behaviors underlying quantum chemistry. Using an innovative structure to show the logical relationships between different topics, systems and methods, it answers questions and emphasizes knowledge using practical examples. Beginning with a review of the orbital model of electronic motion in periodic systems, the book goes on to explore the correlation of electronic motions, density functional theory (DFT), electric and magnetic fields, intermolecular interactions, chemical reactions and information processing. This third release has been updated and revised to cover the latest developments in the field. It can be used on its own as a guide to key interactions and tools or in combination with Volume Two to give a complete overview of the field.

E-Book Content

Compose your own book according to your needs Choose your own path through the TREE (all paths begin at the basis of the TREE). You may also consider the author’s recommendations with two basic paths: • • minimum minimorum, with the sign , for those who want to proceed as quickly as possible to get an idea of what quantum chemistry is all about, minimum, with the signs  and , for those who seek basic information about quantum chemistry, as well as other paths, which consist of the minimum path, i.e.,  and , and special excursions (following the corresponding flags, please note the chapter numbering shown as, e.g., CH1 for Chapter 1, etc.) into the subjects related to: • • • • • • • • • • large molecules (), molecular mechanics and molecular dynamics (♠), solid state chemistry/physics (), chemical reactions (), spectroscopy (), exact calculations on atoms or small molecules (), relativistic and quantum electrodynamics effects (), most important computational methods of quantum chemistry (♦), the future of quantum chemistry (), and “magical” aspects of quantum physics ( ). Ideas of Quantum Chemistry Volume 2: Interactions Third Edition Things appear, ideas persist Plato Ideas of Quantum Chemistry Volume 2: Interactions Third Edition Lucjan Piela Department of Chemistry University of Warsaw Warsaw, Poland Elsevier Radarweg 29, PO Box 211, 1000 AE Amsterdam, Netherlands The Boulevard, Langford Lane, Kidlington, Oxford OX5 1GB, United Kingdom 50 Hampshire Street, 5th Floor, Cambridge, MA 02139, United States Copyright © 2020 Elsevier B.V. All rights reserved. No part of this publication may be reproduced or transmitted in any form or by any means, electronic or mechanical, including photocopying, recording, or any information storage and retrieval system, without permission in writing from the publisher. Details on how to seek permission, further information about the Publisher’s permissions policies and our arrangements with organizations such as the Copyright Clearance Center and the Copyright Licensing Agency, can be found at our website: www.elsevier.com/permissions. This book and the individual contributions contained in it are protected under copyright by the Publisher (other than as may be noted herein). Notices Knowledge and best practice in this field are constantly changing. As new research and experience broaden our understanding, changes in research methods, professional practices, or medical treatment may become necessary. Practitioners and researchers must always rely on their own experience and knowledge in evaluating and using any information, methods, compounds, or experiments described herein. In using such information or methods they should be mindful of their own safety and the safety of others, including parties for whom they have a professional responsibility. To the fullest exte