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Liliana Mammino - Advances in Quantum Systems in Chemistry, Physics, and Biology: Selected Proceedings of QSCP-XXIII (Kruger Park, South Africa, September 2018)

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Liliana Mammino Advances in Quantum Systems in Chemistry, Physics, and Biology: Selected Proceedings of QSCP-XXIII (Kruger Park, South Africa, September 2018)

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This edited, multi-author book gathers selected, peer-reviewed contributions based on papers presented at the 23rd International Workshop on Quantum Systems in Chemistry, Physics, and Biology (QSCP-XXIII), held in Mopani Camp, The Kruger National Park, South Africa, in September 2018. The content is primarily intended for scholars, researchers, and graduate students working at universities and scientific institutes who are interested in the structure, properties, dynamics, and spectroscopy of atoms, molecules, biological systems, and condensed matter.

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Contents
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Volume 32 Progress in Theoretical Chemistry and Physics Series Editors Jean - photo 1
Volume 32
Progress in Theoretical Chemistry and Physics
Series Editors
Jean Maruani
Labo. Chimie Physique, Paris, France
Stephen Wilson
Oxford, UK

Honorary Editors

Rudolph A. Marcus (California Institute of Technology, Pasadena, CA, USA)

Roy McWeeny (Universit 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. Brndas (University of Uppsala, Uppsala, Sweden)

L. Cederbaum (Physikalisch-Chemisches Institut, Heidelberg, Germany)

G. Delgado-Barrio (Instituto de Matemticas y Fsica Fundamental, Madrid, Spain)

E. K. U. Gross (Freie Universitt, Berlin, Germany)

K. Hirao (University of Tokyo, Tokyo, Japan)

Chao-Ping Hsu (Institute of Chemistry, Academia Sinica, Taipei, Taiwan)

R. Lefebvre (Universit 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 Linkping, Linkping, Sweden)

M. A. C. Nascimento (Instituto de Qumica, Rio de Janeiro, Brazil)

P. Piecuch (Michigan State University, East Lansing, MI, USA)

M. Quack (ETH Zrich, Zrich, 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. gren (*)

V. Aquilanti (*)

D. Avnir (*)

J. Cioslowski (*)

W. F. van Gunsteren (*)

H. Huba (*)

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

Editors
Liliana Mammino , Davide Ceresoli , Jean Maruani and Erkki Brndas
Advances in Quantum Systems in Chemistry, Physics, and Biology
Selected Proceedings of QSCP-XXIII (Kruger Park, South Africa, September 2018)
Editors Liliana Mammino School of Mathematical and Natural Sciences - photo 2
Editors
Liliana Mammino
School of Mathematical and Natural Sciences, University of Venda, Thohoyandou, South Africa
Davide Ceresoli
Istituto di Scienze e Tecnologie Moleculari, Consiglio Nazionale delle Ricerche, Milan, Italy
Jean Maruani
Laboratoire de Chimie Physique, CNRS & UPMC, Paris, France
Erkki Brndas
Department of Chemistry, Uppsala University, Uppsala, Sweden
ISSN 1567-7354 e-ISSN 2215-0129
Progress in Theoretical Chemistry and Physics
ISBN 978-3-030-34940-0 e-ISBN 978-3-030-34941-7
https://doi.org/10.1007/978-3-030-34941-7
Springer Nature Switzerland AG 2020
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, expressed or implied, with respect to the material contained herein or for any errors or omissions that may have been made. The publisher remains neutral with regard to jurisdictional claims in published maps and institutional affiliations.

This Springer imprint is published by the registered company Springer Nature Switzerland AG

The registered company address is: Gewerbestrasse 11, 6330 Cham, Switzerland

Preface

This volume collects 16 selected papers from the scientific contributions presented at the Twenty-Third International Workshop on Quantum Systems in Chemistry, Physics, and Biology (QSCP-XXIII), organized by Pr Liliana Mammino from the University of Venda at Mopani Camp, Kruger National Park, South Africa, on September 2329, 2018. Close to 70 scientists from 15 countries attended this meeting. The participants discussed the state of the art, new trends, and future evolution of methods in molecular quantum mechanics and their applications to a broad variety of problems in chemistry, physics, and biology.

The high-level attendance attained in this conference was particularly gratifying. It is the renowned interdisciplinary nature and friendly feeling of QSCP meetings that make them so successful discussion forums.

The workshop took place at Mopani Camp, one of the coziest of the nine camps in Kruger National Park and the closest to the Phalaborwa airport gate. From the large balcony of the restaurant one could watch, after the talks, a crocodile or a hippopotamus freely swimming, or a giraffe or elephant herd coming to drink in nearby waters. The Kruger National Park, which became South Africas first national park in 1926, is one of the largest game reserves in Africa, extending over 360 km from North to South and 65 km from West to East. It is located in the west of Mozambique and south of Zimbabwe and is part of the Kruger to Canyons International Man and Biosphere UNESCO Reserve.

Details of the Kruger Park meeting, including the scientific and social programs, can be found on the web site: https://sites.google.com/view/qscp-2018 . Altogether, there were 12 morning and afternoon sessions, where 28 plenary lectures and invited talks were given, and three evening poster sessions, with 18 posters being displayed. We are grateful to all the participants for making the QSCP-XXIII workshop a stimulating experience and a great success.

QSCP-XXIII followed the traditions established at previous workshops:
  • QSCP-I, organized by Roy McWeeny in 1996 at San Miniato (Pisa, Italy);

  • QSCP-II, by Stephen Wilson in 1997 at Oxford (England);

  • QSCP-III, by Alfonso Hernandez-Laguna in 1998 at Granada (Spain);

  • QSCP-IV, by Jean Maruani in 1999 at Marly-le-Roi (Paris, France);

  • QSCP-V, by Erkki Brndas in 2000 at Uppsala (Sweden);

  • QSCP-VI, by Alia Tadjer and Yavor Delchev in 2001 at Sofia (Bulgaria);

  • QSCP-VII, by Ivan Hubac in 2002 near Bratislava (Slovakia);

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