Theory, computation and experiment

著者

書誌事項

Theory, computation and experiment

editors, Wolfgang Domcke, David R. Yarkony, Horst Köppel

（Advanced series in physical chemistry, v. 17 . Conical intersections）

World Scientific, c2011

タイトル別名

Conical intersections : theory, computation and experiment

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注記

Includes bibliographical references and index

"This second edited volume ... complements the first volume (Conical Intersections: Electronic Structure, Dynamics and Spectroscopy, Vol. 15 in the Advanced Series in Physical Chemistry, World Scientific) published in 2004." -- Preface

内容説明・目次

内容説明

The concept of adiabatic electronic potential-energy surfaces, defined by the Born-Oppenheimer approximation, is fundamental to our thinking about chemical processes. Recent computational as well as experimental studies have produced ample evidence that the so-called conical intersections of electronic energy surfaces, predicted by von Neumann and Wigner in 1929, are the rule rather than the exception in polyatomic molecules. It is nowadays increasingly recognized that conical intersections play a key mechanistic role in chemical reaction dynamics. This volume provides an up-to-date overview of the multi-faceted research on the role of conical intersections in photochemistry and photobiology, including basic theoretical concepts, novel computational strategies as well as innovative experiments. The contents and discussions will be of value to advanced students and researchers in photochemistry, molecular spectroscopy and related areas.

目次

  • Fundamentals Multi-State Conical Intersections
  • Geometric Phase Effects
  • Spin-Orbit Vibronic Coupling at Conical Intersections
  • Chemical Dynamics Dynamics at Multi-State Conical Intersections
  • Effects of a Dissipative Environment
  • Nonadiabatic Quantum Wave-Packet Dynamics
  • Semiclassical Approximations
  • Control of Ultrafast Dynamics
  • Applications Conical Intersections in Organic Photochemistry and Photobiology
  • Ultrafast Radiationless Decay and Photostability
  • High-Resolution Photoelectron and Photofragment Spectroscopy
  • Femtosecond Real-Time Spectroscopy of Ultrafast Chemical Processes.

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