Computational Photochemistry

Content: 
Foreword
Pages ix-xi
Josef Michl

Preface
Pages xiii-xv

Erratum
Page xvi

I. Computational photochemistry Original Research Article
Pages 1-33
Massimo Olivucci, Adalgisa Sinicropi

II. Ab initio methods for excited states Original Research Article
Pages 35-91
Manuela Merchán, Luis Serrano-Andrés

III. Density functional methods for excited States: Equilibrium structure and electronic spectra Original Research Article
Pages 93-128
Filipp Furche, Dmitrij Rappoport

IV. Electronic and vibronic spectra of molecular systems: Models and simulations based on quantum chemically computed molecular parameters Original Research Article
Pages 129-169
F. Negri, G. Orlandi

V. Semiclassical nonadiabatic trajectory computations in photochemistry: Is the reaction path enough to understand A photochemical reaction mechanism? Original Research Article
Pages 171-190
Graham A. Worth, Michael J. Bearpark, Michael A. Robb

VI. Computation of photochemical reaction mechanisms in organic chemistry Original Research Article
Pages 191-223
M. Garavelli, F. Bernardi, A. Cembran

VII. Computation of reaction mechanisms and dynamics in photobiology Original Research Article
Pages 225-253
Seth Olsen, Alessandro Toniolo, Chaehyuk Ko, Leslie Manohar, Kristina Lamothe, Todd J. Martinez

VIII. Development of theory with computation Original Research Article
Pages 255-278
Howard E. Zimmerman

IX. Calculations of electronic spectra of transition metal complexes Original Research Article
Pages 279-315
K. Pierloot

X. Perspectives in calculations on excited state in molecular systems Original Research Article
Pages 317-348
Björn O. Roos

Index
Pages 349-352