Quantum Dynamics and Laser Control for Photochemistry - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Quantum Dynamics and Laser Control for Photochemistry write by Matthieu Sala. This book was released on 2016-01-23. Quantum Dynamics and Laser Control for Photochemistry available in PDF, EPUB and Kindle. The central subject of this thesis is the theoretical description of ultrafast dynamical processes in molecular systems of chemical interest and their control by laser pulses. This work encompasses different cutting-edge methods in quantum chemistry, quantum dynamics and for the rigorous description of the interaction of light and matter at the molecular level. It provides a general quantum mechanical framework for the description of chemical processes guided by laser pulses, in particular near conical intersections, i.e. geometries where the nuclear and electronic motions couple and the molecule undergoes non-adiabatic (or non-Born-Oppenheimer) dynamics. In close collaboration with experimentalists, the author succeeds in making a decisive step to link and to apply quantum physics to chemistry by transferring state of the art techniques and concepts developed in physics to chemistry, such as “light dressed atoms and molecules” and “adiabatic Floquet theory”. He applies these techniques in three prototypic model systems (aniline, pyrazine and NHD2) using high-level electronic structure calculations. Readers will enjoy the comprehensive and accessible introduction to the topic and methodology, as well as the clear structure of the thesis.
Laser Control of Quantum Dynamics
Laser Control of Quantum Dynamics - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Laser Control of Quantum Dynamics write by Regina de Vivie-Riedle. This book was released on 2001. Laser Control of Quantum Dynamics available in PDF, EPUB and Kindle.
Molecular Quantum Dynamics
Molecular Quantum Dynamics - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Molecular Quantum Dynamics write by Fabien Gatti. This book was released on 2014-04-09. Molecular Quantum Dynamics available in PDF, EPUB and Kindle. This book focuses on current applications of molecular quantum dynamics. Examples from all main subjects in the field, presented by the internationally renowned experts, illustrate the importance of the domain. Recent success in helping to understand experimental observations in fields like heterogeneous catalysis, photochemistry, reactive scattering, optical spectroscopy, or femto- and attosecond chemistry and spectroscopy underline that nuclear quantum mechanical effects affect many areas of chemical and physical research. In contrast to standard quantum chemistry calculations, where the nuclei are treated classically, molecular quantum dynamics can cover quantum mechanical effects in their motion. Many examples, ranging from fundamental to applied problems, are known today that are impacted by nuclear quantum mechanical effects, including phenomena like tunneling, zero point energy effects, or non-adiabatic transitions. Being important to correctly understand many observations in chemical, organic and biological systems, or for the understanding of molecular spectroscopy, the range of applications covered in this book comprises broad areas of science: from astrophysics and the physics and chemistry of the atmosphere, over elementary processes in chemistry, to biological processes (such as the first steps of photosynthesis or vision). Nevertheless, many researchers refrain from entering this domain. The book "Molecular Quantum Dynamics" offers them an accessible introduction. Although the calculation of large systems still presents a challenge - despite the considerable power of modern computers - new strategies have been developed to extend the studies to systems of increasing size. Such strategies are presented after a brief overview of the historical background. Strong emphasis is put on an educational presentation of the fundamental concepts, so that the reader can inform himself about the most important concepts, like eigenstates, wave packets, quantum mechanical resonances, entanglement, etc. The chosen examples highlight that high-level experiments and theory need to work closely together. This book thus is a must-read both for researchers working experimentally or theoretically in the concerned fields, and generally for anyone interested in the exciting world of molecular quantum dynamics.
Laser Spectroscopy and Photochemistry on Metal Surfaces
Laser Spectroscopy and Photochemistry on Metal Surfaces - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Laser Spectroscopy and Photochemistry on Metal Surfaces write by Hai-Lung Dai. This book was released on 1995. Laser Spectroscopy and Photochemistry on Metal Surfaces available in PDF, EPUB and Kindle. Using lasers to induce and probe surface processes has the advantages of quantum state specificity, species selectivity, surface sensitivity, fast time-resolution, high frequency resolution, and accessibility to full pressure ranges. These advantages make it highly desirable to use light to induce, control, or monitor surface chemical and physical processes. Recent applications of laser based techniques in studying surface processes have stimulated new developments and enabled the understanding of fundamental problems in energy transfer and reactions. This volume will include discussions on spectroscopic techniques, energy transfer, desorption dynamics, and photochemistry.
Applications of Quantum Dynamics in Chemistry
Applications of Quantum Dynamics in Chemistry - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Applications of Quantum Dynamics in Chemistry write by Fabien Gatti. This book was released on 2017-09-05. Applications of Quantum Dynamics in Chemistry available in PDF, EPUB and Kindle. 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.
