Concepts, Methods and Applications of Quantum Systems in Chemistry and Physics

This edited, multi-author volume contains selected, peer–reviewed contributions based on the presentations given at the 21th International Workshop on Quantum Systems in Chemistry, Physics, and Biology (QSCP-XXI), held in Vancouver, Canada, in July 2

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Yan A. Wang Mark Thachuk Roman Krems Jean Maruani Editors

Concepts, Methods and Applications of Quantum Systems in Chemistry and Physics Selected Proceedings of QSCP-XXI (Vancouver, BC, Canada, July 2016)

Concepts, Methods and Applications of Quantum Systems in Chemistry and Physics

Progress in Theoretical Chemistry and Physics VOLUME 31 Honorary Editors Rudolph A. Marcus (California Institute of Technology, Pasadena, CA, USA) Roy McWeeny (Università di Pisa, Pisa, Italy) Editors-in-Chief J. Maruani (formerly Laboratoire de Chimie Physique, Paris, France) S. Wilson (formerly Rutherford Appleton Laboratory, Oxfordshire, UK) Editorial Board E. Brändas (University of Uppsala, Uppsala, Sweden) L. Cederbaum (Physikalisch-Chemisches Institut, Heidelberg, Germany) G. Delgado-Barrio (Instituto de Matemáticas y Física Fundamental, Madrid, Spain) E. K. U. Gross (Freie Universität, Berlin, Germany) K. Hirao (University of Tokyo, Tokyo, Japan) Chao-Ping Hsu (Institute of Chemistry, Academia Sinica, Taipei, Taiwan) R. Lefebvre (Université Pierre-et-Marie-Curie, Paris, France) R. Levine (Hebrew University of Jerusalem, Jerusalem, Israel) K. Lindenberg (University of California at San Diego, San Diego, CA, USA) A. Lund (University of Linköping, Linköping, Sweden) M. A. C. Nascimento (Instituto de Química, Rio de Janeiro, Brazil) P. Piecuch (Michigan State University, East Lansing, MI, USA) M. Quack (ETH Zürich, Zürich, Switzerland) S. D. Schwartz (Yeshiva University, Bronx, NY, USA) O. Vasyutinskii (Russian Academy of Sciences, St Petersburg, Russia) Y. A. Wang (University of British Columbia, Vancouver, BC, Canada) Former Editors and Editorial Board Members I. Prigogine (†) J. Rychlewski (†) Y. G. Smeyers (†) R. Daudel (†) M. Mateev (†) W. N. Lipscomb (†) Y. Chauvin (†) H. W. Kroto (†) H. Ågren (*) V. Aquilanti (*) D. Avnir (*) J. Cioslowski (*)

W. F. van Gunsteren (*) H. Hubač (*) E. Kryachko (*) M. P. Levy (*) G. L. Malli (*) P. G. Mezey (*) N. Rahman (*) S. Suhai (*) O. Tapia (*) P. R. Taylor (*) R. G. Woolley (*)

†: deceased; *: end of term

More information about this series at http://www.springer.com/series/6464

Yan A. Wang ⋅ Mark Thachuk Roman Krems ⋅ Jean Maruani Editors

Concepts, Methods and Applications of Quantum Systems in Chemistry and Physics Selected Proceedings of QSCP-XXI (Vancouver, BC, Canada, July 2016)

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Editors Yan A. Wang University of British Columbia Vancouver Canada Mark Thachuk University of British Columbia Vancouver Canada

Roman Krems University of British Columbia Vancouver Canada Jean Maruani Laboratoire de Chimie Physique CNRS & UPMC Paris France

ISSN 1567-7354 ISSN 2215-0129 (electronic) Progress in Theoretical Chemistry and Physics ISBN 978-3-319-74581-7 ISBN 978-3-319-74582-4 (eBook) https://doi.org/10.1007/978-3-319-74582-4 Library of Congress Control Number: 2017964436 © Springer International Publishing AG, part of Springer Nature 2018 This work is subject to copyright. All rights are reserved by the Publisher, whether the whole or part of the material is concerned, specifical