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This unique volume offers a clear perspective of the relevant
methodology relating to the chemical theory of the next generation
beyond the Born-Oppenheimer paradigm. It bridges the gap between
cutting-edge technology of attosecond laser science and the theory
of chemical reactivity. The essence of this book lies in the method
of nonadiabatic electron wavepacket dynamic, which will set a new
foundation for theoretical chemistry.In light of the great progress
of molecular electronic structure theory (quantum chemistry), the
authors show a new direction towards nonadiabatic electron
dynamics, in which quantum wavepackets have been theoretically and
experimentally revealed to bifurcate into pieces due to the strong
kinematic interactions between electrons and nuclei.The
applications range from nonadiabatic chemical reactions in
photochemical dynamics to chemistry in densely quasi-degenerated
electronic states that largely fluctuate through their mutual
nonadiabatic couplings. The latter is termed as "chemistry without
the potential energy surfaces" and thereby virtually no theoretical
approach has been made yet.Restarting from such a novel foundation
of theoretical chemistry, the authors cast new light even on the
traditional chemical notions such as the Pauling resonance theory,
proton transfer, singlet biradical reactions, and so on.
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