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Books > Science & Mathematics > Physics > Quantum physics (quantum mechanics)
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Applications of Quantum Dynamics in Chemistry (Hardcover, 1st ed. 2017)
Loot Price: R4,812
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Applications of Quantum Dynamics in Chemistry (Hardcover, 1st ed. 2017)
Series: Lecture Notes in Chemistry, 98
Expected to ship within 12 - 19 working days
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This book explains the usage and application of Molecular Quantum
Dynamics, the methodology where both the electrons and the nuclei
in a molecule are treated with quantum mechanical calculations.
This volume of Lecture Notes in Chemistry addresses graduate
students and postdocs in the field of theoretical chemistry, as
well as postgraduate students, researchers and teachers from
neighboring fields, such as quantum physics, biochemistry,
biophysics, or anyone else who is interested in this rising method
in theoretical chemistry, and who wants to gain experience in the
opportunities it can offer. It can also be useful for teachers
interested in illustrative examples of time-dependent quantum
mechanics as animations of realistic wave packets have been
designed to assist in visualization. Assuming a basic knowledge
about quantum mechanics, the authors link their explanations to
recent experimental investigations where Molecular Quantum Dynamics
proved successful and necessary for the understanding of the
experimental results. Examples including reactive scattering,
photochemistry, tunneling, femto- and attosecond chemistry and
spectroscopy, cold chemistry or crossed-beam experiments illustrate
the power of the method. The book restricts complicated formalism
to the necessary and in a self-contained and clearly explained way,
offering the reader an introduction to, and instructions for,
practical exercises. Continuative explanation and math are
optionally supplemented for the interested reader. The reader
learns how to apply example simulations with the MCTDH program
package (Multi Configuration Time Dependent Hartree calculations).
Readers can thus obtain the tools to run their own simulations and
apply them to their problems. Selected scripts and program code
from the examples are made available as supplementary material.
This book bridges the gap between the existing textbooks on
fundamental theoretical chemistry and research monographs focusing
on sophisticated applications. It is a must-read for everyone who
wants to gain a sound understanding of Molecular Quantum Dynamics
simulations and to obtain basic experience in running their own
simulations.
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