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 Oscillation and Stability of Delay Models in Biology by André Nauts, Hans-Dieter Meyer, Benjamin Lasorne, Fabien Gatti
Cover of the book Biology and Biotechnology of Actinobacteria by André Nauts, Hans-Dieter Meyer, Benjamin Lasorne, Fabien Gatti
Cover of the book Hegel in the Arab World by André Nauts, Hans-Dieter Meyer, Benjamin Lasorne, Fabien Gatti
Cover of the book Catalysis for Green Energy and Technology by André Nauts, Hans-Dieter Meyer, Benjamin Lasorne, Fabien Gatti
Cover of the book Evolutionary Biology by André Nauts, Hans-Dieter Meyer, Benjamin Lasorne, Fabien Gatti
Cover of the book East Asian Mothers in Britain by André Nauts, Hans-Dieter Meyer, Benjamin Lasorne, Fabien Gatti
Cover of the book Political Marketing and Management in Ghana by André Nauts, Hans-Dieter Meyer, Benjamin Lasorne, Fabien Gatti
Cover of the book Operation, Planning, and Analysis of Energy Storage Systems in Smart Energy Hubs by André Nauts, Hans-Dieter Meyer, Benjamin Lasorne, Fabien Gatti
Cover of the book Electronic Participation by André Nauts, Hans-Dieter Meyer, Benjamin Lasorne, Fabien Gatti
Cover of the book Design, User Experience, and Usability: Understanding Users and Contexts by André Nauts, Hans-Dieter Meyer, Benjamin Lasorne, Fabien Gatti
Cover of the book The AIDS Pandemic by André Nauts, Hans-Dieter Meyer, Benjamin Lasorne, Fabien Gatti
Cover of the book Gustav von Schmoller and Adolph Wagner by André Nauts, Hans-Dieter Meyer, Benjamin Lasorne, Fabien Gatti
Cover of the book Large Scale Data Analytics by André Nauts, Hans-Dieter Meyer, Benjamin Lasorne, Fabien Gatti
Cover of the book Advances in Audio Watermarking Based on Matrix Decomposition by André Nauts, Hans-Dieter Meyer, Benjamin Lasorne, Fabien Gatti
Cover of the book African Immigrant Traders in Inner City Johannesburg 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