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Chemical Physics and Quantum Chemistry - 1st Edition - ISBN: 9780128197578, 9780128197585

Chemical Physics and Quantum Chemistry, Volume 81

1st Edition

Serial Volume Editors: Erkki Brandas Kenneth Ruud
Hardcover ISBN: 9780128197578
eBook ISBN: 9780128197585
Imprint: Academic Press
Published Date: 18th September 2020
Page Count: 350
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Table of Contents

    1. János Ladik some reminiscences
    2. Maximilian Seel

      The tragicomedy of modern theoretical biology

      Maximilian Seel and János Ladik

    3. Molecular attochemistry: Correlated electron dynamics driven by light
    4. Peter Saalfrank, Florian Bedurke, Chiara Heide, Tillmann Klamroth, Stefan Klinkusch, Pascal Krause, Mathias Nest and Jean Christophe Tremblay

    5. Fundamental and approximate symmetries, parity violation and tunneling in chiral and achiral molecules
    6. Martin Quack, Georg Seyfang and Gunther Wichmann

    7. On the development and implementation of multi-CPU parallel versions of accurate, general purpose, methods of multireference perturbation theories
    8. Run R. Li and Mark R. Hoffmann

    9. Treating the motion of nuclei and electrons in atomic and molecular quantum mechanical calculations on an equal footing: Non-Born–Oppenheimer quantum chemistry
    10. Saeed Nasiri, Sergiy Bubin and Ludwik Adamowicz

    11. The bound state stability of the hydride ion in HF theory
    12. Hazel Cox, Adam L. Baskerville, Ville J.J. Syrjanen and Michael Melgaard

    13. Theoretical study of bisphenol A photolysis
    14. Elena N. Bocharnikova, Olga N. Tchaikovskaya, Olga K. Bazyl, Viktor Ya. Artyukhov and George V. Mayer

    15. The anisotropy and temperature dependence in the mobility of rubrene
    16. Yu-Jie Zhong, Chang-Feng Lan, Bo-Chao Lin, Chong-Der Hu, Yuan-Chung Cheng and Chao-Ping Hsu

    17. Competing excited-state deactivation processes in bacteriophytochromes
    18. Bo Durbeej

    19. The influence of monovalent and divalent metal cations on the stability of the DNA-protein interaction in the nucleosome core particle
    20. Alex-Adrian Farcaș and Attila Bende

    21. Quantum chemistry assisted by machine learning

Pavlo O. Dral


Advances in Quantum Chemistry presents surveys of current topics in this rapidly developing field one that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology. It features detailed reviews written by leading international researchers. In this volume the readers are presented with an exciting combination of themes.

Key Features

  • Presents surveys of current topics in this rapidly-developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry and biology
  • Features detailed reviews written by leading international researchers
  • Topics include: New advances in Quantum Chemical Physics; Original theory and a contemporary overview of the field of Theoretical Chemical Physics; State-of-the-Art calculations in Theoretical Chemistry


Research students, young professional scientists and established theoretical chemists and physicists


No. of pages:
© Academic Press 2020
18th September 2020
Academic Press
Hardcover ISBN:
eBook ISBN:

Ratings and Reviews

About the Serial Volume Editors

Erkki Brandas

Erkki Brandas

Erkki Brändas was born in Tampere, Finland in July1940 and was, as a Finnish war child, transported to Sweden in February 1942, finally adopted by his Swedish parents and given Swedish citizenship in 1947. He received his FL (PhD) in 1969 and Doctor of Philosophy (habilitation) in 1972, both at Uppsala University. Except for guest professorships in USA, Germany, Israel, he spent his professional career in Uppsala employed as Assistant- Associate- and Full Professor from 1975 until retirement in 2007. In addition to serving as chairman of the department of Quantum Chemistry, he was appointed Executive Director of the Uppsala Graduate School Advanced Instrumentation and Measurement supervising the doctoral education of 35 PhD’s from 1997-2007. He has served on various international scientific and editorial boards, e.g. Wiley, Elsevier and Springer including the service as Editor-in-Chief for the International Journal of Quantum Chemistry, Series Editor of the Advances in Quantum Chemistry. He is the current President of the International Society for Theoretical Chemical Physics, since 15 years, chairing a variety of international congresses and other numerous meetings, schools and workshops. He has published over 260 articles and edited more than 50 books on fundamental theoretical chemical physics from research on atoms, molecules and solid-state physics to complex enough systems in biology – from the microscopic realm to the cosmological rank.

Affiliations and Expertise

Uppsala University, Sweden

Kenneth Ruud

Kenneth Ruud

Kenneth Ruud is a professor of theoretical chemistry at UiT The Arctic University of Norway (Norway). He received his Ph.D. degree from the University of Oslo in 1998 (supervisor Trygve Helgaker) and spent 2 years as a postdoctoral fellow in San Diego with Peter Taylor before moving to Tromsø in 2001. His main research interests are development of new ab initio methods for the study of molecular properties and light-matter interactions for both relativistic and non-relativistic quantum-chemical methods. Additional interests include solvent effects (continuum and QM/MM methods) and the effects of molecular vibrations on molecular properties. He is an author of several quantum chemistry program: Dalton, Dirac, ReSpect, and OpenRSP.

Affiliations and Expertise

UiT The Arctic University of Norway, Norway