• Medientyp: Buch
  • Titel: Molecular quantum dynamics : from theory to applications
  • Beteiligte: Gatti, Fabien [Hrsg.]
  • Erschienen: Berlin; Heidelberg [u.a.]: Springer, 2014
  • Erschienen in: Physical chemistry in action
  • Enthält: Introduction and conceptual background / Fabien Gatti and Benjamin Lasorne
    Elementary molecule-surface scattering processes relevant to heterogeneous catalysis: insights from quantum dynamics calculations / Cristinia Díaz, Axel Gross, Bret Jackson, and Geert-Jan Kroes
    Tunneling in unimolecular and bimolecular reactions / Hua Guo, Jianyi Ma, and Jun Li
    Reactive scattering and resonance / Zhigang Sun, Bin Zhao, Shu Liu, and Dong-H. Zhang
    Vibrational spectroscopy and molecular dynamics / Oriol Vendrell, Markus Schröder, and Hans-Dieter Meyer
    Vibronic coupling effects in spectroscopy and non-adiabatic transitions in molecular photodynamics / Horst Köppel
    Non-adiabatic photochemistry: ultrafast electronic state transitions and nuclear wavepacket coherence / Benjamin Lasorne, Graham A. Worth, and Michael A. Robb
    The interplay of nuclear and electron wavepacket motion in the control of molecular processes: a theoretical perspective / Sebastian Thallmair, Robert Siemering, Patrick Kölle, Matthias Kling, Matthais Wollenhaupt, Thomas Baumert, and Regina de Vivie-Riedle
    The dynamics of quantum computing in molecules / Alex Brown and Ryan R. Zaari
    Conclusion / Fabien Gatti and Benjamin Lasorne.
  • Umfang: IX, 273 S.; Ill., graph. Darst; 25 cm
  • Sprache: Englisch
  • ISBN: 3642452892; 9783642452895
  • DOI: 10.1007/978-3-642-45290-1
  • Identifikator:
  • Verlags-, Produktions- oder Bestellnummern: Sonstige Nummer: 86191217
  • Entstehung:
  • RVK-Notation: VE 5650 : Allgemeines
    UL 3000 : Spezielle Anwendungen der Vielteilchenmethoden
  • Schlagwörter: Quantenchemie
  • Beschreibung: This book focuses on current applications of molecular quantum dynamics. Examples from all main subjects in the field, presented by the internationally renowned experts, illustrate the importance of the domain. Recent success in helping to understand experimental observations in fields like heterogeneous catalysis, photochemistry, reactive scattering, optical spectroscopy, or femto- and attosecond chemistry and spectroscopy underline that nuclear quantum mechanical effects affect many areas of chemical and physical research. In contrast to standard quantum chemistry calculations, where the nuclei are treated classically, molecular quantum dynamics can cover quantum mechanical effects in their motion. Many examples, ranging from fundamental to applied problems, are known today that are impacted by nuclear quantum mechanical effects, including phenomena like tunneling, zero point energy effects, or non-adiabatic transitions. Being important to correctly understand many observations in chemical, organic and biological systems, or for the understanding of molecular spectroscopy, the range of applications covered in this book comprises broad areas of science: from astrophysics and the physics and chemistry of the atmosphere, over elementary processes in chemistry, to biological processes (such as the first steps of photosynthesis or vision). Nevertheless, many researchers refrain from entering this domain. The book "Molecular Quantum Dynamics" offers them an accessible introduction. Although the calculation of large systems still presents a challenge - despite the considerable power of modern computers - new strategies have been developed to extend the studies to systems of increasing size. Such strategies are presented after a brief overview of the historical background. Strong emphasis is put on an educational presentation of the fundamental concepts, so that the reader can inform himself about the most important concepts, like eigenstates, wave packets, quantum mechanical resonances, entanglement, et cetera The chosen examples highlight that high-level experiments and theory need to work closely together. This book thus is a must-read both for researchers working experimentally or theoretically in the concerned fields, and generally for anyone interested in the exciting world of molecular quantum dynamics.--

    This book focuses on current applications of molecular quantum dynamics. Examples from all main subjects in the field, presented by the internationally renowned experts, illustrate the importance of the domain. Recent success in helping to understand experimental observations in fields like heterogeneous catalysis, photochemistry, reactive scattering, optical spectroscopy, or femto- and attosecond chemistry and spectroscopy underline that nuclear quantum mechanical effects affect many areas of chemical and physical research. In contrast to standard quantum chemistry calculations, where the nuclei are treated classically, molecular quantum dynamics can cover quantum mechanical effects in their motion. Many examples, ranging from fundamental to applied problems, are known today that are impacted by nuclear quantum mechanical effects, including phenomena like tunneling, zero point energy effects, or non-adiabatic transitions. Being important to correctly understand many observations in chemical, organic and biological systems, or for the understanding of molecular spectroscopy, the range of applications covered in this book comprises broad areas of science: from astrophysics and the physics and chemistry of the atmosphere, over elementary processes in chemistry, to biological processes (such as the first steps of photosynthesis or vision). Nevertheless, many researchers refrain from entering this domain. The book "Molecular Quantum Dynamics" offers them an accessible introduction. Although the calculation of large systems still presents a challenge - despite the considerable power of modern computers - new strategies have been developed to extend the studies to systems of increasing size. Such strategies are presented after a brief overview of the historical background. Strong emphasis is put on an educational presentation of the fundamental concepts, so that the reader can inform himself about the most important concepts, like eigenstates, wave packets, quantum mechanical resonances, entanglement, et cetera The chosen examples highlight that high-level experiments and theory need to work closely together. This book thus is a must-read both for researchers working experimentally or theoretically in the concerned fields, and generally for anyone interested in the exciting world of molecular quantum dynamics.--
  • Anmerkungen: Literaturangaben

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