Nonadiabatic Transition Concepts Basic Theories And Applications
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Nonadiabatic Transition
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Author : Hiroki Nakamura
language : en
Publisher: World Scientific
Release Date : 2012
Nonadiabatic Transition written by Hiroki Nakamura and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012 with Science categories.
An exploration of the concepts, basic theories and applications of nonadiabatic transition. Nonadiabatic transition is a multidisciplinary concept and phenomenon, constituting a fundamental mechanism of state and phase changes in various dynamical processes of physics, chemistry and biology.
Nonadiabatic Transition Concepts Basic Theories And Applications 2nd Edition
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Author : Hiroki Nakamura
language : en
Publisher: World Scientific
Release Date : 2012-01-13
Nonadiabatic Transition Concepts Basic Theories And Applications 2nd Edition written by Hiroki Nakamura and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-01-13 with Science categories.
Nonadiabatic transition is a highly multidisciplinary concept and phenomenon, constituting a fundamental mechanism of state and phase changes in various dynamical processes of physics, chemistry and biology, such as molecular dynamics, energy relaxation, chemical reaction, and electron and proton transfer. Control of molecular processes by laser fields is also an example of time-dependent nonadiabatic transition.In this new edition, the original chapters are updated to facilitate enhanced understanding of the concept and applications. Three new chapters — comprehension of nonadiabatic chemical dynamics, control of chemical dynamics, and manifestation of molecular functions — are also added.
Nonadiabatic Transition Concepts Basic Theories And Applications
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Author : Hiroki Nakamura
language : en
Publisher: World Scientific
Release Date : 2002-04-10
Nonadiabatic Transition Concepts Basic Theories And Applications written by Hiroki Nakamura and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 2002-04-10 with Science categories.
Nonadiabatic transition is a highly multidisciplinary concept and phenomenon, constituting a fundamental mechanism of state and phase changes in various dynamical processes of physics, chemistry and biology, such as molecular dynamics, energy relaxation, chemical reaction, and electron and proton transfer. Control of molecular processes by laser fields is also an example of time-dependent nonadiabatic transition. Thus, nonadiabatic transition represents one of the very basic mechanisms of the mutability of the world. This book has been written because the complete analytical solutions to the basic problem have recently been formulated by the author.
Introduction To Nonadiabatic Dynamics
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Author : Hiroki Nakamura
language : en
Publisher: World Scientific
Release Date : 2019-09-26
Introduction To Nonadiabatic Dynamics written by Hiroki Nakamura and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 2019-09-26 with Science categories.
Nonadiabatic transition is a highly multi-disciplinary concept and phenomenon, constituting a fundamental mechanism of state and phase changes in various dynamical processes of physics, chemistry and biology. This book is intended to be readable to a broad audience so that they can deepen their understanding of the basic concepts of both time-independent and time-dependent nonadiabatic transitions. Quantum mechanically intriguing phenomena such as complete reflection and nonadiabatic tunneling are emphasized. The Zhu-Nakamura theory that can deal with non-negligible classically forbidden transitions is explained. Furthermore, by controlling nonadiabatic transitions induced by an external field such as laser, designing chemical reaction dynamics as we desire is shown to be theoretically possible.
Laser Control Of Chemical Dynamics With Emphasis On Nonadiabatic Transition
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Author : Hiroki Nakamura
language : en
Publisher: World Scientific
Release Date : 2024-09-10
Laser Control Of Chemical Dynamics With Emphasis On Nonadiabatic Transition written by Hiroki Nakamura and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024-09-10 with Science categories.
Laser control of chemical dynamics is one of the active research fields in molecular science, brought about by significant advances in laser technology and further development of quantum control theory. This monograph features the author's outstanding contributions to the field. The first four chapters provide an excellent review of the fundamental subjects that are crucial to understanding laser-molecule interactions, with the highlight being his Zhu-Nakamura theory of nonadiabatic transition. This is an important basic theory for describing processes relevant to laser control, and has been used by scientists around the world because of its simplicity and accuracy. The remaining chapters propose theoretical possibilities of controlling various chemical dynamic processes based on theories discussed earlier in the book.
New Horizons In Computational Chemistry Software
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Author : Michael Filatov
language : en
Publisher: Springer Nature
Release Date : 2022-06-28
New Horizons In Computational Chemistry Software written by Michael Filatov and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-06-28 with Science categories.
This volume presents the current status of software development in the field of computational and theoretical chemistry and gives an overview of the emerging trends. The challenges of maintaining the legacy codes and their adaptation to the rapidly growing hardware capabilities and the new programming environments are surveyed in a series of topical reviews written by the core developers and maintainers of the popular quantum chemistry and molecular dynamics programs. Special emphasis is given to new computational methodologies and practical aspects of their implementation and application in the computational chemistry codes. Modularity of the computational chemistry software is an emerging concept that enables to bypass the development and maintenance bottleneck of the legacy software and to customize the software using the best available computational procedures implemented in the form of self-contained modules. Perspectives on modular design of the computer programs for modeling molecular electronic structure, non-adiabatic dynamics, kinetics, as well as for data visualization are presented by the researchers actively working in the field of software development and application. This volume is of interest to quantum and computational chemists as well as experimental chemists actively using and developing computational software for their research. Chapters "MLatom 2: An Integrative Platform for Atomistic Machine Learning” and “Evolution of the Automatic Rhodopsin Modeling (ARM) Protocol" are available open access under a CC BY 4.0 License via link.springer.com.
Current Developments In Atomic Molecular And Chemical Physics With Applications
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Author : Man Mohan
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Current Developments In Atomic Molecular And Chemical Physics With Applications written by Man Mohan and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-06 with Science categories.
Proceedings of an International Conference on Current Developments in Atomic, Molecular, and Chemical Physics with Applications, held March 20-22, 2002, in Delhi, India. The 38 chapters cover a broad range of research activities categorized into four sub-topics, namely: * Processes in Laser Fields, * Chemical Physics, * Collision Processes, * Atomic Structure and Applications.
Solvable One Dimensional Multi State Models For Statistical And Quantum Mechanics
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Author : Rajendran Saravanan
language : en
Publisher: Springer Nature
Release Date : 2021-11-14
Solvable One Dimensional Multi State Models For Statistical And Quantum Mechanics written by Rajendran Saravanan and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-11-14 with Science categories.
This book highlights the need for studying multi-state models analytically for understanding the physics of molecular processes. An intuitive picture about recently solved models of statistical and quantum mechanics is drawn along with presenting the methods developed to solve them. The models are relevant in the context of molecular processes taking place in gaseous phases and condensed phases, emphasized in the introduction. Chapter 1 derives the arisal of multi-state models for molecular processes from the full Hamiltonian description. The model equations are introduced and the literature review presented in short. In Chapter 2, the time-domain methods to solve Smoluchowski-based reaction-diffusion systems with single-state and two-state descriptions are discussed. Their corresponding analytical results derive new equilibrium concepts in reversible reactions and studies the effect of system and molecular parameters in condensed-phase chemical dynamics. In Chapter 3, time-domain methods to solve quantum scattering problems are developed. Along side introducing a brand new solvable model in quantum scattering, it discusses transient features of quantum two-state models. In interest with electronic transitions, a new solvable two-state model with localized non-adiabatic coupling is also presented. The book concludes by proposing the future scope of the model, thereby inviting new research in this fundamentally important and rich applicable field.
Time Dependent Density Functional Theory
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Author : Chaoyuan Zhu
language : en
Publisher: CRC Press
Release Date : 2022-12-29
Time Dependent Density Functional Theory written by Chaoyuan Zhu and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-12-29 with Science categories.
In recent decades, time-dependent density functional theory has been developed for computing excited-state properties of large-scale systems to high accuracy in biomolecules and nanomaterials, especially for ab initio nonadiabatic molecular dynamic simulations. It is therefore regarded as a most unique efficient method to do accurate simulation for large complex systems. This book compiles and details cutting-edge research in quantum chemistry and chemical physics from interdisciplinary groups from Japan, China, South Korea, the United States, Hong Kong, and Taiwan. These groups are developing excited-state dynamics methods involving conical intersections and intersystem crossings for large complex systems. Edited by Chaoyuan Zhu, a prominent chemical physics researcher, this book will appeal to anyone involved in molecular dynamics and spectroscopy, photochemistry, biochemistry, and materials chemistry research.
Photochemistry
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Author : Maurizio Persico
language : en
Publisher: Springer
Release Date : 2018-05-04
Photochemistry written by Maurizio Persico and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-05-04 with Science categories.
This book offers an introduction to photochemistry for students with a minimal background in physical chemistry and molecular quantum mechanics. The focus is from a theoretical perspective and highlights excited state dynamics. The authors, experienced lecturers, describe the main concepts in photochemical and photophysical processes that are used as a basis to interpret classical steady-state experimental results (essentially product branching ratios and quantum yields) and the most advanced time-resolved techniques. A significant portion of the content is devoted to the computational techniques present in quantum chemistry and molecular dynamics.With its short summaries, questions and exercises, this book is aimed at graduate students, while its theoretical focus differentiates it from most introductory textbooks on photochemistry.