Chemical Physics and Quantum Chemistry

Chemical Physics and Quantum Chemistry

1st Edition - September 18, 2020

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  • Editors: Erkki Brandas, Kenneth Ruud
  • Hardcover ISBN: 9780128197578
  • eBook ISBN: 9780128197585

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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

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

Product details

  • No. of pages: 350
  • Language: English
  • Copyright: © Academic Press 2020
  • Published: September 18, 2020
  • Imprint: Academic Press
  • Hardcover ISBN: 9780128197578
  • eBook ISBN: 9780128197585

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

Department of Quantum Chemistry, Angstrom Laboratory, Uppsala University, Uppsala, 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

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