Applications of Quantum Dynamics in Chemistry

Nonfiction, Science & Nature, Science, Chemistry, Physical & Theoretical, Physics, Quantum Theory
Cover of the book Applications of Quantum Dynamics in Chemistry by André Nauts, Hans-Dieter Meyer, Benjamin Lasorne, Fabien Gatti, Springer International Publishing
View on Amazon View on AbeBooks View on Kobo View on B.Depository View on eBay View on Walmart
Author: André Nauts, Hans-Dieter Meyer, Benjamin Lasorne, Fabien Gatti ISBN: 9783319539232
Publisher: Springer International Publishing Publication: September 5, 2017
Imprint: Springer Language: English
Author: André Nauts, Hans-Dieter Meyer, Benjamin Lasorne, Fabien Gatti
ISBN: 9783319539232
Publisher: Springer International Publishing
Publication: September 5, 2017
Imprint: Springer
Language: English

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.

View on Amazon View on AbeBooks View on Kobo View on B.Depository View on eBay View on Walmart

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.

More books from Springer International Publishing

Cover of the book Women in Peacemaking and Peacebuilding in Northern Uganda by André Nauts, Hans-Dieter Meyer, Benjamin Lasorne, Fabien Gatti
Cover of the book Foundations of Augmented Cognition: Neuroergonomics and Operational Neuroscience by André Nauts, Hans-Dieter Meyer, Benjamin Lasorne, Fabien Gatti
Cover of the book Rationality, Time, and Self by André Nauts, Hans-Dieter Meyer, Benjamin Lasorne, Fabien Gatti
Cover of the book Dynamic and Seamless Integration of Production, Logistics and Traffic by André Nauts, Hans-Dieter Meyer, Benjamin Lasorne, Fabien Gatti
Cover of the book Networking of Mutagens in Environmental Toxicology by André Nauts, Hans-Dieter Meyer, Benjamin Lasorne, Fabien Gatti
Cover of the book Social Multimedia Signals by André Nauts, Hans-Dieter Meyer, Benjamin Lasorne, Fabien Gatti
Cover of the book International Adoption in North American Literature and Culture by André Nauts, Hans-Dieter Meyer, Benjamin Lasorne, Fabien Gatti
Cover of the book Smart Textiles by André Nauts, Hans-Dieter Meyer, Benjamin Lasorne, Fabien Gatti
Cover of the book Concise Catalog of Deep-Sky Objects by André Nauts, Hans-Dieter Meyer, Benjamin Lasorne, Fabien Gatti
Cover of the book The Theory of Info-Dynamics: Rational Foundations of Information-Knowledge Dynamics by André Nauts, Hans-Dieter Meyer, Benjamin Lasorne, Fabien Gatti
Cover of the book Congenital Anomalies of the Kidney and Urinary Tract by André Nauts, Hans-Dieter Meyer, Benjamin Lasorne, Fabien Gatti
Cover of the book Corporate Social Responsibility in the Post-Financial Crisis Era by André Nauts, Hans-Dieter Meyer, Benjamin Lasorne, Fabien Gatti
Cover of the book Development Challenges in Bhutan by André Nauts, Hans-Dieter Meyer, Benjamin Lasorne, Fabien Gatti
Cover of the book Improving Anti-Money Laundering Compliance by André Nauts, Hans-Dieter Meyer, Benjamin Lasorne, Fabien Gatti
Cover of the book Rare Metal Technology 2018 by André Nauts, Hans-Dieter Meyer, Benjamin Lasorne, Fabien Gatti
We use our own "cookies" and third party cookies to improve services and to see statistical information. By using this website, you agree to our Privacy Policy