It is widely recognized nowadays that conical intersections of molecular potential-energy surfaces play a key mechanistic role in the spectroscopy of polyatomic molecules, photochemistry and chemical kinetics. This book presents a systematic exposition of the current state of knowledge about conical intersections, which has been elaborated in research papers scattered throughout the chemical-physics literature. Section I of the book provides a comprehensive analysis of the electronic-structure aspects of conical intersections. Section II shows the importance of conical intersections in chemical-reaction dynamics and gives an overview of the computational techniques employed to describe the dynamics at conical intersections. Finally, Section III deals with the role of conical intersections for researchers in the fields of molecular electronic-structure theory, molecular spectroscopy, photochemistry and chemical-reaction dynamics.
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The purpose of this review article is to present a comprehensive account of what is generally known as the Born-Oppenheimer approximation, its meaning, its implications, its properties, and very importantly also its limitations and how to cure them. Read the first page Key Phrases - Statistically Improbable Phrases (SIPs): (learn more)
nuclear motion wave function, crude adiabatic basis, adiabatic sheet, diabatic electronic representation, diabatic population, diabatic electronic states, conical intersection, conical parameters, nonrelativistic seam, geometric phase effects, analytic gradient techniques, adiabatic ansatz, adiabatic electronic basis, electronic population dynamics, intersection mediates, nonadiabatic chemistry, photoisomerization model, quasidiabatic basis, quasidiabatic states, vector potential approach, vibronic dynamics, lower adiabatic surface, nonadiabatic systems, quantum reactive scattering calculations, seam curvature Key Phrases - Capitalized Phrases (CAPs): (learn more)
New York, American Institute of Physics, Faraday Discuss, Quantum Chem, Academic Press, World Scientific, Faraday Trans, Germany Contents, Concluding Remarks, Oxford University Press, Plenum Press, Cambridge University Press, Encyclopedia of Computational Chemistry, Faraday Soc, Coulomb Hamiltonian, Dynamical Theory of Crystal Lattices, Lecture Notes, Los Alamos, Delayed Dissociation, Describing Conical Topographies, Electronic Aspects of Organic Photochemistry, Scattering Angle, Technical University of Munich, Conzcal Intersections, Marcel Dekker New!
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Front Cover | Table of Contents | First Pages | Index | Back Cover | Surprise Me!
The purpose of this review article is to present a comprehensive account of what is generally known as the Born-Oppenheimer approximation, its meaning, its implications, its properties, and very importantly also its limitations and how to cure them. Read the first page Key Phrases - Statistically Improbable Phrases (SIPs): (learn more)
nuclear motion wave function, crude adiabatic basis, adiabatic sheet, diabatic electronic representation, diabatic population, diabatic electronic states, conical intersection, conical parameters, nonrelativistic seam, geometric phase effects, analytic gradient techniques, adiabatic ansatz, adiabatic electronic basis, electronic population dynamics, intersection mediates, nonadiabatic chemistry, photoisomerization model, quasidiabatic basis, quasidiabatic states, vector potential approach, vibronic dynamics, lower adiabatic surface, nonadiabatic systems, quantum reactive scattering calculations, seam curvature Key Phrases - Capitalized Phrases (CAPs): (learn more)
New York, American Institute of Physics, Faraday Discuss, Quantum Chem, Academic Press, World Scientific, Faraday Trans, Germany Contents, Concluding Remarks, Oxford University Press, Plenum Press, Cambridge University Press, Encyclopedia of Computational Chemistry, Faraday Soc, Coulomb Hamiltonian, Dynamical Theory of Crystal Lattices, Lecture Notes, Los Alamos, Delayed Dissociation, Describing Conical Topographies, Electronic Aspects of Organic Photochemistry, Scattering Angle, Technical University of Munich, Conzcal Intersections, Marcel Dekker New!
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Front Cover | Table of Contents | First Pages | Index | Back Cover | Surprise Me!
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This book cites 74
books:
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- The Jahn-Teller Effect by Isaac Bersuker on 6 pages
- Dynamical Theory of Crystal Lattices (Oxford Classic Texts in the Physical Sciences) by Max Born on 5 pages
- Photodissociation Dynamics: Spectroscopy and Fragmentation of Small Polyatomic Molecules (Cambridge Monographs on Atomic, Molecular and Chemical Physics) by Reinhard Schinke on 4 pages
- Electronic Aspects of Organic Photochemistry by Josef Michl on 4 pages
- Jahn-Teller Effect in Molecules and Crystals (Wiley monographs in chemical physics) by R. Englman on 4 pages
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