Vibrational dynamics of molecules
著者
書誌事項
Vibrational dynamics of molecules
World Scientific, c2022
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注記
Includes bibliographical references and index
内容説明・目次
内容説明
Vibrational Dynamics of Molecules represents the definitive concise text on the cutting-edge field of vibrational molecular chemistry. The chapter contributors are a Who's Who of world leaders in the field. The editor, Joel Bowman, is widely considered as one of the founding fathers of theoretical reaction dynamics. The included topics span the field, from fundamental theory such as collocation methods and vibrational CI methods, to interesting applications such as astrochemistry, supramolecular systems and virtual computational spectroscopy. This is a useful reference for theoretical chemists, spectroscopists, physicists, undergraduate and graduate students, lecturers and software developers.
目次
- Collocation Methods (Tucker Carrington)
- Vibrational Configuration Interaction Theory (Benjamin Schroeder and Guntram Rauhut)
- Vibrational Coupled Cluster and Response Theory (Ove Christensen)
- Tensor Decompositions for Vibrational Spectroscopy (Markus Reiher and Alberto Baiardi)
- The Code MULTIMODE and Applications to Strong Hydrogen Bonded Systems (Joel Bowman)
- Spectra from MCTDH and Applications (Hans Dieter Meyer and Oriol Vendrell)
- Diffusion Monte Carlo Approach to Vibrational Spectroscopy (Anne McCoy)
- Application of Molecular Vibrations to Astrochemistry (Tim Lee and Ryan Fortenberry)
- Semiclassical Vibrational Dynamics for Molecular and Supra-Molecular Systems (Michele Ceotto and Riccardo Conte)
- Rigorous Description of Large Amplitude Motion (Ad van der Avoird)
- Spectra of Large Molecules from Direct Dynamics (Marie-Pierre Gaigeot)
- Strong Vibrational Coupling to Light, e.g., Polaritons (Raphael Ribeiro and Joel Yuen-Zhou)
- Virtual Computational Spectroscopy in a Graphically Driven Context (Vincen Barone)
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