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Photochemistry : a modern theoretical perspective

Author: Maurizio Persico
Publisher: Cham, Switzerland : Springer, [2018]
Series: Theoretical chemistry and computational modelling.
Edition/Format:   Print book : EnglishView all editions and formats
Summary:

This book offers an introduction to photochemistry for students with a minimal background in physical chemistry and molecular quantum mechanics.

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Document Type: Book
All Authors / Contributors: Maurizio Persico
ISBN: 3319899716 9783319899718
OCLC Number: 1029205694
Description: xii, 263 pages : illustrations (some color) ; 25 cm.
Contents: Chapter 1. Introduction.-What is photochemistry. -Primary and secondary processes, quantum yields.-Photochemical kinetics. Unimolecular and bimolecular processes..-Chapter 2. Molecular states.-The time-dependent Schroedinger equation.-Molecular dynamics and the separation of variables.-The Born-Oppenheimer approximation and its breakdown: the nonadiabatic couplings.-The electrostatic approximation: spin and magnetic couplings.-Vibrational and rotational states.-Electronic states of polyatomics and photoreactivity.-Environmental effects.-Computational note: the determination of electronic excited states.-Chapter 3. Electronic excitation and decay.-Perturbation theory and the time evolution of molecular states.-Light absorption and emission.-Light pulses and the excitation to non-stationary states.-Beyond perturbation theory.-Decay to a continuum or quasi-continuum of states: Fermi's golden rule.-Computational note: transition matrix elements.-Chapter 4. Fast nonadiabatic dynamics.-Non-crossing rule and avoided crossings.-Diabatic states.-Landau-Zener rule.-Conical intersections and other surface crossings.-Computational note: methods for nonadiabatic dynamics.-Chapter 5. Charge and energy transfer.-Localization of charge and excitation.-Charge transfer: Marcus theory.-Excitation transfer: Foerster and Dexter mechanisms.-Excitonic coupling and antenna effect.-Spin changing processes.-Computational note: localization and couplings.-Chapter 6. Femtochemistry.-Time-resolved fluorescence.-Time-resolved differential absorption.-Time-resolved photoelectron spectroscopy.-Resonant Raman spectroscopy.-Computational note: the simulation of transient spectra.
Series Title: Theoretical chemistry and computational modelling.
Responsibility: Maurizio Persico, Giovanni Granucci.

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