Advanced
Series in Physical Chemistry - Vol. 17
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CONICAL
INTERSECTIONS
Theory, Computation and Experiment
edited by Wolfgang Domcke (Technical
University of Munich, Germany), David
R Yarkony (Johns Hopkins
University, USA) & Horst
Köppe (Heidelberg University,
Germany)
750pp (approx.)
978-981-4313-44-5: US$190 / £131
US$133 / £91.70
The concept of
adiabatic electronic potential-energy
surfaces, defined by the
Born-Oppenheimer approximation, is
fundamental to our thinking about
chemical processes. Recent computational
as well as experimental studies have
produced ample evidence that the
so-called conical intersections of
electronic energy surfaces, predicted by
von Neumann and Wigner in 1929, are the
rule rather than the exception in
polyatomic molecules. It is nowadays
increasingly recognized that conical
intersections play a key mechanistic
role in chemical reaction dynamics. This
volume provides an up-to-date overview
of the multi-faceted research on the
role of conical intersections in
photochemistry and photobiology,
including basic theoretical concepts,
novel computational strategies as well
as innovative experiments. The contents
and discussions will be of value to
advanced students and researchers in
photochemistry, molecular spectroscopy
and related areas.
Contents:
- Fundamental Aspects and
Electronic Structure:
- Multi-State Conical
Intersections
- Conical Intersections in Organic
Photochemistry (M Robb)
- Efficient Excited-State
Deactivation in Organic
Chromophores and Biologically
Relevant Molecules: Role of
Electron and Proton Transfer
Processes (A L Sobolewski
& W Domcke)
- Three-State Conical
Intersections (S Matsika)
- Spin-Orbit Vibronic Coupling in
Jahn-Teller Systems (L V
Poluyanov & W Domcke)
- Symmetry Analysis of
Geometric-Phase Effects in Quantum
Dynamics (S C Althorpe)
- Dynamics at Conical
Intersections:
- Conical Intersections in
Electron Photodetachment
Spectroscopy: Theory and
Applications (M S Schuurman
& D R Yarkony)
- Multi-State Vibronic Dynamics
and Multiple Conical Intersections
(S Faraji et al.)
- Conical Intersections Coupled to
an Environment (I Burghardt et
al.)
- Ab Initio Multiple-Spawning:
First-Principles Dynamics Around
Conical Intersections (S Yang
& T J Martinez)
- Non-Born-Oppenheimer Molecular
Dynamics for Conical
Intersections, Avoided Crossings
and Weak Interactions (A W
Jasper & D G Truhlar)
- Computational and Methodological
Elements for Nonadiabatic
Trajectory Dynamics Simulations of
Molecules (M Barbatti et al.)
- Nonadiabatic Trajectory
Calculations with Ab Initio and
Semiempirical Methods (E
Fabiano et al.)
- Multistate Nonadiabatic Dynamics
"On the Fly" in Complex Systems
and Its Control by Laser Fields (R
Mitric et al.)
- Laser Control of Ultrafast
Dynamics at Conical Intersections
(Y Ohtsuki & W Domcke)
- Experimental Detection of
Dynamics at Conical Intersections:
- Exploring Nuclear Motion Through
Conical Intersections in the UV
Photodissociation of Azoles,
Phenols and Related Systems (T
A A Oliver et al.)
- Interrogation of Nonadiabatic
Molecular Dynamics via
Time-Resolved Photoelectron
Spectroscopy (M S Schuurman
& A Stolow)
- Pump-Probe Spectroscopy of
Ultrafast Vibronic Dynamics in
Organic Chromophores (F Renth
et al.)
- Femtosecond Pump-Probe
Polarization Spectroscopy of
Vibronic Dynamics at Conical
Intersections and Funnels (W K
Peters et al.)
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