Vibrational Dynamics of Molecules

Vibrational Dynamics of Molecules

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Description

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.

Contents:

  • Vibrational Configuration Interaction Theory (Benjamin Schröder and Guntram Rauhut)
  • Vibrational Coupled Cluster Theory (Ove Christiansen)
  • Tensor Network States for Vibrational Spectroscopy (Nina Glaser, Alberto Baiardi, and Markus Reiher)
  • Diffusion Monte Carlo Approaches for Studying Large Amplitude Vibrational Motions in Molecules and Clusters (Jacob M Finney, Ryan J DiRisio, and Anne B McCoy)
  • Collocation Methods for Computing Vibrational Spectra (Tucker Carrington)
  • Vibration-Rotation-Tunneling Levels and Spectra of Van der Waals Molecules (Ad van der Avoird)
  • Vibrational and Rovibrational Spectroscopy Applied to Astrochemistry (Ryan C Fortenberry and Timothy J Lee)
  • MULTIMODE, the n-Mode Representation of the Potential and Illustrations to IR Spectra of Glycine and Two Protonated Water Clusters (Qi Yu, Chen Qu, Paul L Houston, Riccardo Conte, Apurba Nandi, and Joel M Bowman)
  • Vibrational Spectra of Flexible Systems using the MCTDH Approach (H-D Meyer, M Schröder and O Vendrell)
  • Semiclassical Vibrational Dynamics for Molecular and Supra-Molecular Systems (Riccardo Conte and Michele Ceotto)
  • Direct Dynamics for Vibrational Spectroscopy: From Large Molecules in the Gas Phase to the Condensed Phase (Sana Bougueroua, Vladimir Chantitch, Wanlin Chen, Simone Pezzotti, and Marie-Pierre Gaigeot)
  • Introduction to Vibropolaritons: Spectroscopy, Relaxation and Chemical Reactions (Raphael F Ribeiro and Joel Yuen-Zhou)

Readership: This book is a useful reference for theoretical chemists, spectroscopists, chemical physicists and software developers working in the field of vibrational molecular chemistry. It may also be of interest to undergraduate and graduate students, as well as lecturers, involved in courses related to Theoretical/Computational/Quantum Chemistry.

Key Features:

  • Definitive reference on vibrational molecular chemistry
  • Chapter contributors are a Who's Who of world leaders in the field
  • Editor is widely considered as one of the founding fathers of theoretical reaction dynamics
  • Wide range of topics covered, from theory to applications


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