Nonadiabatic Transition

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Nonadiabatic Transition

Author : Hiroki Nakamura
Publisher : World Scientific
ISBN 13 : 9814329789
Total Pages : 515 pages
Book Rating : 4.8/5 (143 download)

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Book Synopsis Nonadiabatic Transition by : Hiroki Nakamura

Download or read book Nonadiabatic Transition written by Hiroki Nakamura and published by World Scientific. This book was released on 2012 with total page 515 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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 OCo comprehension of nonadiabatic chemical dynamics, control of chemical dynamics, and manifestation of molecular functions OCo are also added.

Nonadiabatic Transition: Concepts, Basic Theories And Applications (2nd Edition)

Author : Hiroki Nakamura
Publisher : World Scientific
ISBN 13 : 9814462438
Total Pages : 516 pages
Book Rating : 4.8/5 (144 download)

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Book Synopsis Nonadiabatic Transition: Concepts, Basic Theories And Applications (2nd Edition) by : Hiroki Nakamura

Download or read book Nonadiabatic Transition: Concepts, Basic Theories And Applications (2nd Edition) written by Hiroki Nakamura and published by World Scientific. This book was released on 2012-01-13 with total page 516 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Chemical Theory beyond the Born-Oppenheimer Paradigm

Author : Kazuo Takatsuka
Publisher : World Scientific
ISBN 13 : 9814619663
Total Pages : 448 pages
Book Rating : 4.8/5 (146 download)

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Book Synopsis Chemical Theory beyond the Born-Oppenheimer Paradigm by : Kazuo Takatsuka

Download or read book Chemical Theory beyond the Born-Oppenheimer Paradigm written by Kazuo Takatsuka and published by World Scientific. This book was released on 2014-12-09 with total page 448 pages. Available in PDF, EPUB and Kindle. Book excerpt: This unique volume offers a clear perspective of the relevant methodology relating to the chemical theory of the next generation beyond the Born-Oppenheimer paradigm. It bridges the gap between cutting-edge technology of attosecond laser science and the theory of chemical reactivity. The essence of this book lies in the method of nonadiabatic electron wavepacket dynamic, which will set a new foundation for theoretical chemistry. In light of the great progress of molecular electronic structure theory (quantum chemistry), the authors show a new direction towards nonadiabatic electron dynamics, in which quantum wavepackets have been theoretically and experimentally revealed to bifurcate into pieces due to the strong kinematic interactions between electrons and nuclei. The applications range from nonadiabatic chemical reactions in photochemical dynamics to chemistry in densely quasi-degenerated electronic states that largely fluctuate through their mutual nonadiabatic couplings. The latter is termed as “chemistry without the potential energy surfaces” and thereby virtually no theoretical approach has been made yet. Restarting from such a novel foundation of theoretical chemistry, the authors cast new light even on the traditional chemical notions such as the Pauling resonance theory, proton transfer, singlet biradical reactions, and so on. Contents:The Aim of This Book: Where are We?Basic Framework of Theoretical ChemistryNuclear Dynamics on Adiabatic Electronic Potential Energy SurfacesBreakdown of the Born–Oppenheimer Approximation: Classic Theories of Nonadiabatic Transitions and Ideas BehindDirect Observation of the Wavepacket Bifurcation Due to Nonadiabatic TransitionsNonadiabatic Electron Wavepacket Dynamics in Path-branching RepresentationDynamical Electron Theory for Chemical ReactionsMolecular Electron Dynamics in Laser Fields Readership: Graduate students, professional scientists in theoretical chemistry, quantum chemistry, chemical dynamics, nonadiabatic transition, molecular physics, electron dynamics, and experimentalists in laser chemistry (including ultrafast chemical dynamics), photochemistry, laser control of chemical reactions, and scientists working in physical chemistry and chemical physics in general. Key Features:Presents a new framework of theory for ultrafast chemical reactions based on the nonadiabatic electron wavepacket dynamicsOffers a very powerful yet futuristic methodology to handle the attosecond electron-wavepacket quantum dynamics associated with non-Born-Oppenheimer nuclear pathsDescribes the original and powerful practices to cope with actual molecular systems that have been attained through authors' long-standing studiesKeywords:Electron Dynamics;Laser Chemistry;Nonadiabatic Transitions;Quantum Wave Packet;Ultrafast Chemical Dynamics;Attosecond Dynamics;Control Of Chemical Reactions;Photodynamics;Avoided Crossing;Conical Intersection;Pump-Probe;Photoelectron Spectroscopy;Excited State Chemistry;Semiclassical Theory

Dynamics of Molecules and Chemical Reactions

Author : Robert Wyatt
Publisher : CRC Press
ISBN 13 : 9780824795382
Total Pages : 692 pages
Book Rating : 4.7/5 (953 download)

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Book Synopsis Dynamics of Molecules and Chemical Reactions by : Robert Wyatt

Download or read book Dynamics of Molecules and Chemical Reactions written by Robert Wyatt and published by CRC Press. This book was released on 1996-06-27 with total page 692 pages. Available in PDF, EPUB and Kindle. Book excerpt: Covers both molecular and reaction dynamics. The work presents important theroetical and computational approaches to the study of energy transfer within and between molecules, discussing the application of these approaches to problems of experimental interest. It also describes time-dependent and time-independent methods, variational and perturbative techniques, iterative and direct approaches, and methods based upon the use of physical grids of finite sets of basic function.

Nonadiabatic Particle Losses in Axisymmetric and Multipolar Magnetic Fields

Author : J. Reece Roth
Publisher :
ISBN 13 :
Total Pages : 84 pages
Book Rating : 4.:/5 (31 download)

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Book Synopsis Nonadiabatic Particle Losses in Axisymmetric and Multipolar Magnetic Fields by : J. Reece Roth

Download or read book Nonadiabatic Particle Losses in Axisymmetric and Multipolar Magnetic Fields written by J. Reece Roth and published by . This book was released on 1965 with total page 84 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Introduction To Nonadiabatic Dynamics

Author : Nakamura Hiroki
Publisher : World Scientific
ISBN 13 : 9811203431
Total Pages : 396 pages
Book Rating : 4.8/5 (112 download)

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Book Synopsis Introduction To Nonadiabatic Dynamics by : Nakamura Hiroki

Download or read book Introduction To Nonadiabatic Dynamics written by Nakamura Hiroki and published by World Scientific. This book was released on 2019-09-26 with total page 396 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

State Selected and State-to-State Ion-Molecule Reaction Dynamics, Volume 82, Part 2

Author : Michael Baer
Publisher : John Wiley & Sons
ISBN 13 : 047014193X
Total Pages : 578 pages
Book Rating : 4.4/5 (71 download)

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Book Synopsis State Selected and State-to-State Ion-Molecule Reaction Dynamics, Volume 82, Part 2 by : Michael Baer

Download or read book State Selected and State-to-State Ion-Molecule Reaction Dynamics, Volume 82, Part 2 written by Michael Baer and published by John Wiley & Sons. This book was released on 2009-09-08 with total page 578 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Advances in Chemical Physics series provides the chemical physics and physical chemistry fields with a forum for critical, authoritative evaluations of advances in every area of the discipline. Filled with cutting-edge research reported in a cohesive manner not found elsewhere in the literature, each volume of the Advances in Chemical Physics series serves as the perfect supplement to any advanced graduate class devoted to the study of chemical physics.

Theoretical and Quantum Chemistry at the Dawn of the 21st Century

Author : Tanmoy Chakraborty
Publisher : CRC Press
ISBN 13 : 1351170945
Total Pages : 635 pages
Book Rating : 4.3/5 (511 download)

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Book Synopsis Theoretical and Quantum Chemistry at the Dawn of the 21st Century by : Tanmoy Chakraborty

Download or read book Theoretical and Quantum Chemistry at the Dawn of the 21st Century written by Tanmoy Chakraborty and published by CRC Press. This book was released on 2018-06-19 with total page 635 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume, edited by a well-known specialist in the field of theoretical chemistry, gathers together a selection of papers on theoretical chemistry within the themes of mathematical, computational, and quantum chemistry. The authors present a rich assembly of some of the most important current research in the field of quantum chemistry in modern times. In Quantum Chemistry at the Dawn of the 21st Century, the editors aim to replicate the tradition of the fruitful Girona Workshops and Seminars, held at the University of Girona, Italy, annually for many years, which offered important scientific gatherings focusing on quantum chemistry. This volume, like the workshops, showcases a large variety of quantum chemical contributions from different points of view from some of the leading scientists in the field today. This unique volume does not pretend to provide a complete overview of quantum chemistry, but it does provide a broad set of contributions by some of the leading scientists on the field, under the expert editorship of two leaders in the field.

Quantum Mechanical Tunneling in Chemical Physics

Author : Hiroki Nakamura
Publisher : CRC Press
ISBN 13 : 1466507322
Total Pages : 226 pages
Book Rating : 4.4/5 (665 download)

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Book Synopsis Quantum Mechanical Tunneling in Chemical Physics by : Hiroki Nakamura

Download or read book Quantum Mechanical Tunneling in Chemical Physics written by Hiroki Nakamura and published by CRC Press. This book was released on 2016-04-19 with total page 226 pages. Available in PDF, EPUB and Kindle. Book excerpt: Quantum mechanical tunneling plays important roles in a wide range of natural sciences, from nuclear and solid-state physics to proton transfer and chemical reactions in chemistry and biology. Responding to the need for further understanding of multidimensional tunneling, the authors have recently developed practical methods that can be applied to multidimensional systems. Quantum Mechanical Tunneling in Chemical Physics presents basic theories, as well as original ones developed by the authors. It also provides methodologies and numerical applications to real molecular systems. The book offers information so readers can understand the basic concepts and dynamics of multidimensional tunneling phenomena and use the described methods for various molecular spectroscopy and chemical dynamics problems. The text focuses on three tunneling phenomena: (1) energy splitting, or tunneling splitting, in symmetric double well potential, (2) decay of metastable state through tunneling, and (3) tunneling effects in chemical reactions. Incorporating mathematics to explain basic theories, the text requires readers to have graduate-level math to grasp the concepts presented. The book reviews low-dimensional theories and clarifies their insufficiency conceptually and numerically. It also examines the phenomenon of nonadiabatic tunneling, which is common in molecular systems. The book describes applications to real polyatomic molecules, such as vinyl radicals and malonaldehyde, demonstrating the high efficiency and accuracy of the method. It discusses tunneling in chemical reactions, including theories for direct evaluation of reaction rate constants for both electronically adiabatic and nonadiabatic chemical reactions. In the final chapter, the authors touch on future perspectives.

Springer Handbook of Atomic, Molecular, and Optical Physics

Author : Gordon W. F. Drake
Publisher : Springer Nature
ISBN 13 : 3030738930
Total Pages : 1436 pages
Book Rating : 4.0/5 (37 download)

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Book Synopsis Springer Handbook of Atomic, Molecular, and Optical Physics by : Gordon W. F. Drake

Download or read book Springer Handbook of Atomic, Molecular, and Optical Physics written by Gordon W. F. Drake and published by Springer Nature. This book was released on 2023-02-09 with total page 1436 pages. Available in PDF, EPUB and Kindle. Book excerpt: Comprises a comprehensive reference source that unifies the entire fields of atomic molecular and optical (AMO) physics, assembling the principal ideas, techniques and results of the field. 92 chapters written by about 120 authors present the principal ideas, techniques and results of the field, together with a guide to the primary research literature (carefully edited to ensure a uniform coverage and style, with extensive cross-references). Along with a summary of key ideas, techniques, and results, many chapters offer diagrams of apparatus, graphs, and tables of data. From atomic spectroscopy to applications in comets, one finds contributions from over 100 authors, all leaders in their respective disciplines. Substantially updated and expanded since the original 1996 edition, it now contains several entirely new chapters covering current areas of great research interest that barely existed in 1996, such as Bose-Einstein condensation, quantum information, and cosmological variations of the fundamental constants. A fully-searchable CD- ROM version of the contents accompanies the handbook.

Advances in Atomic and Molecular Physics

Author :
Publisher : Academic Press
ISBN 13 : 9780080564722
Total Pages : 440 pages
Book Rating : 4.5/5 (647 download)

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Book Synopsis Advances in Atomic and Molecular Physics by :

Download or read book Advances in Atomic and Molecular Physics written by and published by Academic Press. This book was released on 1977-01-13 with total page 440 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Atomic and Molecular Physics

Mixed-Valence Systems

Author : Yuwu Zhong
Publisher : John Wiley & Sons
ISBN 13 : 3527349804
Total Pages : 517 pages
Book Rating : 4.5/5 (273 download)

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Book Synopsis Mixed-Valence Systems by : Yuwu Zhong

Download or read book Mixed-Valence Systems written by Yuwu Zhong and published by John Wiley & Sons. This book was released on 2023-05-30 with total page 517 pages. Available in PDF, EPUB and Kindle. Book excerpt: Mixed-Valence Systems Comprehensive overview on the advanced development of mixed-valence chemistry Mixed-Valence Systems: Fundamentals, Synthesis, Electron Transfer, and Applications covers all topics related to the theory and experimental results of mixed-valence systems, including the design, synthesis, and applications of mixed-valence compounds containing inorganic, organometallic and organic redox-active centers. The text also covers the recent advances in mixed-valence chemistry, including the development of new mixed-valence systems, transition of mixed valency, better understanding of the spectral characteristics of intervalence charge transfer, and controllable electron transfer related to molecular electronics. In Mixed-Valence Systems, readers can expect to find detailed information on sample topics such as: Characterization and evaluation of mixed-valence systems, electron paramagnetic resonance spectroscopy, and electrochemical methods Optical analysis, important issues in mixed-valence chemistry, transition of mixed valency from localized to delocalized, and solvent control of electron transfer Theoretical background, potential energy surfaces from classical two-state model, and quantum description of the potential energy surfaces Reorganization energies, electronic coupling matrix element and the transition moments, generalized Mulliken–Hush theory, and analysis of the band shape of intervalence charge transfer Strengthening the relationship of mixed-valence electron transfer and molecular electronics, Mixed-Valence Systems is of immense value to researchers and professionals working in the field of electron transfer, molecular electronics, and optoelectronics.

Modern Techniques in Computational Chemistry: MOTECC-91

Author : E. Clementi
Publisher : Springer Science & Business Media
ISBN 13 : 9789072199102
Total Pages : 1314 pages
Book Rating : 4.1/5 (991 download)

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Book Synopsis Modern Techniques in Computational Chemistry: MOTECC-91 by : E. Clementi

Download or read book Modern Techniques in Computational Chemistry: MOTECC-91 written by E. Clementi and published by Springer Science & Business Media. This book was released on 1991-07-31 with total page 1314 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Kinetics of Chemical Gas Reactions

Author : Viktor Nikolaevich Kondrat£ev
Publisher :
ISBN 13 :
Total Pages : 466 pages
Book Rating : 4.X/5 (1 download)

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Book Synopsis Kinetics of Chemical Gas Reactions by : Viktor Nikolaevich Kondrat£ev

Download or read book Kinetics of Chemical Gas Reactions written by Viktor Nikolaevich Kondrat£ev and published by . This book was released on 1962 with total page 466 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Advances in Quantum Chemistry

Author :
Publisher : Academic Press
ISBN 13 : 0080582443
Total Pages : 382 pages
Book Rating : 4.0/5 (85 download)

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Book Synopsis Advances in Quantum Chemistry by :

Download or read book Advances in Quantum Chemistry written by and published by Academic Press. This book was released on 1988-08-01 with total page 382 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Quantum Chemistry

Conical Intersections

Author :
Publisher :
ISBN 13 : 9814397938
Total Pages : pages
Book Rating : 4.8/5 (143 download)

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Book Synopsis Conical Intersections by :

Download or read book Conical Intersections written by and published by . This book was released on with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:

Progress in Ultrafast Intense Laser Science II

Author : See Leang Chin
Publisher : Springer Science & Business Media
ISBN 13 : 3540381562
Total Pages : 378 pages
Book Rating : 4.5/5 (43 download)

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Book Synopsis Progress in Ultrafast Intense Laser Science II by : See Leang Chin

Download or read book Progress in Ultrafast Intense Laser Science II written by See Leang Chin and published by Springer Science & Business Media. This book was released on 2007-06-10 with total page 378 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book series addresses a newly emerging interdisciplinary research field, Ultrafast Intense Laser Science, spanning atomic and molecular physics, molecular science, and optical science. Highlights of this second volume include Coulomb explosion and fragmentation of molecules, control of chemical dynamics, high-order harmonic generation, propagation and filamentation, and laser-plasma interaction. All chapters are authored by foremost experts in their fields.