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Quantum Mechanical Tunneling in Chemical Physics (Hardcover, New)
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Quantum Mechanical Tunneling in Chemical Physics (Hardcover, New)
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Quantum mechanical tunneling plays important roles in a wide range
of natural sciences, from nuclear and solid-state physics to proton
transfer and chemical reactions in chemistry and biology.
Responding to the need for further understanding of
multidimensional tunneling, the authors have recently developed
practical methods that can be applied to multidimensional systems.
Quantum Mechanical Tunneling in Chemical Physics presents basic
theories, as well as original ones developed by the authors. It
also provides methodologies and numerical applications to real
molecular systems. The book offers information so readers can
understand the basic concepts and dynamics of multidimensional
tunneling phenomena and use the described methods for various
molecular spectroscopy and chemical dynamics problems. The text
focuses on three tunneling phenomena: (1) energy splitting, or
tunneling splitting, in symmetric double well potential, (2) decay
of metastable state through tunneling, and (3) tunneling effects in
chemical reactions. Incorporating mathematics to explain basic
theories, the text requires readers to have graduate-level math to
grasp the concepts presented. The book reviews low-dimensional
theories and clarifies their insufficiency conceptually and
numerically. It also examines the phenomenon of nonadiabatic
tunneling, which is common in molecular systems. The book describes
applications to real polyatomic molecules, such as vinyl radicals
and malonaldehyde, demonstrating the high efficiency and accuracy
of the method. It discusses tunneling in chemical reactions,
including theories for direct evaluation of reaction rate constants
for both electronically adiabatic and nonadiabatic chemical
reactions. In the final chapter, the authors touch on future
perspectives.
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