Download Principles and Practices of Molecular Properties: Theory, Modeling, and Simulations
Principles and Practices of Molecular Properties: Theory, Modeling, and Simulations book pdf download. A comprehensive yet accessible exploration of quantum chemical methods for the determination of molecular properties of spectroscopic relevance.
Molecular properties can be probed both through experiment and simulation. This book bridges these two worlds, connecting the experimentalist’s macroscopic view of responses of the electromagnetic field to the theoretician’s microscopic description of the molecular responses.
- A journey in electrodynamics from the molecular microscopic perspective to the conventional macroscopic viewpoint
- The construction of Hamiltonians that are appropriate for the quantum mechanical description of molecular properties
- Time- and frequency-domain perspectives of light–matter interactions and molecular responses of both electrons and nuclei
- An introduction to approximate state response theory that serves as an everyday tool for computational chemists
- A unified presentation of prominent molecular properties
eBook details
- Author (s): Patrick Norman, Kenneth Ruud, Trond Saue
- Publication year: 2018
- Publisher: Wiley
- Language: English
- ISBN: 0470725621, 9780470725627, 9781118794838, 9781118794814, 9780470725627
- Pages: 471
- Book format: PDF
- File size: 5 MB
