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Symmetry of Intramolecular Quantum Dynamics

Author: Alexander V. Burenin

Publisher: Walter de Gruyter

Published: 2012-12-06

Total Pages: 444

ISBN-13: 3110267640

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The main goal of this book is to give a systematic description of intramolecular quantum dynamics on the basis of only the symmetry principles. In this respect, the book has no analogs in the world literature. This approach does not introduce a configuration space of the molecular system in explicit form at all and, consequently, does not consider in explicit form the wave functions of the coordinates of this space. However, precisely because of its deep philosophical and technical difference this approach is the only possible for the solution of many topical problems of the internal dynamics of molecules. The obtained models lead to a simple, purely algebraic, scheme of calculation and are rigorous in the sense that their correctness is limited only to the correct choice of symmetry of the internal dynamics. The book is basically intended for scientists working in the field of molecular spectroscopy, quantum and structural chemistry. The reader is not supposed to know the apparatus of group representation theory needed for application of symmetry methods in quantum intramolecular dynamics since the first part of the book is dedicated to it.

Book Synopsis Symmetry of Intramolecular Quantum Dynamics by : Alexander V. Burenin

Download or read book Symmetry of Intramolecular Quantum Dynamics written by Alexander V. Burenin and published by Walter de Gruyter. This book was released on 2012-12-06 with total page 444 pages. Available in PDF, EPUB and Kindle. Book excerpt: The main goal of this book is to give a systematic description of intramolecular quantum dynamics on the basis of only the symmetry principles. In this respect, the book has no analogs in the world literature. This approach does not introduce a configuration space of the molecular system in explicit form at all and, consequently, does not consider in explicit form the wave functions of the coordinates of this space. However, precisely because of its deep philosophical and technical difference this approach is the only possible for the solution of many topical problems of the internal dynamics of molecules. The obtained models lead to a simple, purely algebraic, scheme of calculation and are rigorous in the sense that their correctness is limited only to the correct choice of symmetry of the internal dynamics. The book is basically intended for scientists working in the field of molecular spectroscopy, quantum and structural chemistry. The reader is not supposed to know the apparatus of group representation theory needed for application of symmetry methods in quantum intramolecular dynamics since the first part of the book is dedicated to it.

Chemical Physics and Quantum Chemistry

Author:

Publisher: Academic Press

Published: 2020-09-18

Total Pages: 350

ISBN-13: 0128197587

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Advances in Quantum Chemistry presents surveys of current topics in this rapidly developing field one that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology. It features detailed reviews written by leading international researchers. In this volume the readers are presented with an exciting combination of themes. Presents surveys of current topics in this rapidly-developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry and biology Features detailed reviews written by leading international researchers Topics include: New advances in Quantum Chemical Physics; Original theory and a contemporary overview of the field of Theoretical Chemical Physics; State-of-the-Art calculations in Theoretical Chemistry

Book Synopsis Chemical Physics and Quantum Chemistry by :

Download or read book Chemical Physics and Quantum Chemistry written by and published by Academic Press. This book was released on 2020-09-18 with total page 350 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Quantum Chemistry presents surveys of current topics in this rapidly developing field one that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology. It features detailed reviews written by leading international researchers. In this volume the readers are presented with an exciting combination of themes. Presents surveys of current topics in this rapidly-developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry and biology Features detailed reviews written by leading international researchers Topics include: New advances in Quantum Chemical Physics; Original theory and a contemporary overview of the field of Theoretical Chemical Physics; State-of-the-Art calculations in Theoretical Chemistry

Molecular Spectroscopy and Quantum Dynamics

Author: Roberto Marquardt

Publisher: Elsevier

Published: 2020-09-18

Total Pages: 376

ISBN-13: 0128172355

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Molecular Spectroscopy and Quantum Dynamics, an exciting new work edited by Professors Martin Quack and Roberto Marquardt, contains comprehensive information on the current state-of-the-art experimental and theoretical methods and techniques used to unravel ultra-fast phenomena in atoms, molecules and condensed matter, along with future perspectives on the field. Contains new insights into the quantum dynamics and spectroscopy of electronic and nuclear motion Presents the most recent developments in the detection and interpretation of ultra-fast phenomena Includes a discussion of the importance of these phenomena for the understanding of chemical reaction dynamics and kinetics in relation to molecular spectra and structure

Book Synopsis Molecular Spectroscopy and Quantum Dynamics by : Roberto Marquardt

Download or read book Molecular Spectroscopy and Quantum Dynamics written by Roberto Marquardt and published by Elsevier. This book was released on 2020-09-18 with total page 376 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular Spectroscopy and Quantum Dynamics, an exciting new work edited by Professors Martin Quack and Roberto Marquardt, contains comprehensive information on the current state-of-the-art experimental and theoretical methods and techniques used to unravel ultra-fast phenomena in atoms, molecules and condensed matter, along with future perspectives on the field. Contains new insights into the quantum dynamics and spectroscopy of electronic and nuclear motion Presents the most recent developments in the detection and interpretation of ultra-fast phenomena Includes a discussion of the importance of these phenomena for the understanding of chemical reaction dynamics and kinetics in relation to molecular spectra and structure

Intramolecular Dynamics

Author: Joshua Jortner

Publisher: Springer Science & Business Media

Published: 2012-12-06

Total Pages: 550

ISBN-13: 9400979274

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The Fifteenth Jerusalem Symposium reflected the high standards of the former international scientific meetings, which convene once a year at the Israel Academy of Sciences and Humanities in Jerusalem to discuss a specific topic in the broad area of quantum chemistry and biochemistry. The topic at this year's Jerusalem Symposium was intramo lecular dynamics, a subject of central interest for theoreticians, che mists and biologists. During the last two decades, there has been remarkable pro gress in our understanding of time dependent phenomena. The development and application of the modern techniques of quantum mechanics and sta tistical mechanics to excited-state dynamics and to chemical and biophy sical systems constitutes a fast developing current research area. The main theme of the Symposium was built around a conceptual framework for the elucidation of photophysical and photochemical phenomena in atoms, molecules, van der Waals complexes and clusters, condensed phases, poly mers and biological supermolecules. The interdisciplinary nature of this research field was deliberated by intensive and extensive interactions between scientists from different disciplines and between theory and experiment. This volume provides a record of the invited lectures at the Symposium.

Book Synopsis Intramolecular Dynamics by : Joshua Jortner

Download or read book Intramolecular Dynamics written by Joshua Jortner and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 550 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Fifteenth Jerusalem Symposium reflected the high standards of the former international scientific meetings, which convene once a year at the Israel Academy of Sciences and Humanities in Jerusalem to discuss a specific topic in the broad area of quantum chemistry and biochemistry. The topic at this year's Jerusalem Symposium was intramo lecular dynamics, a subject of central interest for theoreticians, che mists and biologists. During the last two decades, there has been remarkable pro gress in our understanding of time dependent phenomena. The development and application of the modern techniques of quantum mechanics and sta tistical mechanics to excited-state dynamics and to chemical and biophy sical systems constitutes a fast developing current research area. The main theme of the Symposium was built around a conceptual framework for the elucidation of photophysical and photochemical phenomena in atoms, molecules, van der Waals complexes and clusters, condensed phases, poly mers and biological supermolecules. The interdisciplinary nature of this research field was deliberated by intensive and extensive interactions between scientists from different disciplines and between theory and experiment. This volume provides a record of the invited lectures at the Symposium.

Classical and Quantum Molecular Dynamics in NMR Spectra

Author: Sławomir Szymański

Publisher: Springer

Published: 2018-05-24

Total Pages: 402

ISBN-13: 3319907816

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The book provides a detailed account of how condensed-phase molecular dynamics are reflected in the line shapes of NMR spectra. The theories establishing connections between random, time-dependent molecular processes and lineshape effects are exposed in depth. Special emphasis is placed on the theoretical aspects, involving in particular intermolecular processes in solution, and molecular symmetry issues. The Liouville super-operator formalism is briefly introduced and used wherever it is beneficial for the transparency of presentation. The proposed formal descriptions of the discussed problems are sufficiently detailed to be implemented on a computer. Practical applications of the theory in solid- and liquid-phase studies are illustrated with appropriate experimental examples, exposing the potential of the lineshape method in elucidating molecular dynamics NMR-observable molecular phenomena where quantization of the spatial nuclear degrees of freedom is crucial are addressed in the last part of the book. As an introduction to this exciting research field, selected aspects of the quantum mechanics of isolated systems undergoing rotational tunnelling are reviewed, together with some basic information about quantum systems interacting with their condensed environment. The quantum theory of rate processes evidenced in the NMR lineshapes of molecular rotors is presented, and illustrated with appropriate experimental examples from both solid- and liquid-phase spectra. In this context, the everlasting problem of the quantum-to-classical transition is discussed at a quantitative level. The book will be suitable for graduate students and new and practising researchers using NMR techniques.

Book Synopsis Classical and Quantum Molecular Dynamics in NMR Spectra by : Sławomir Szymański

Download or read book Classical and Quantum Molecular Dynamics in NMR Spectra written by Sławomir Szymański and published by Springer. This book was released on 2018-05-24 with total page 402 pages. Available in PDF, EPUB and Kindle. Book excerpt: The book provides a detailed account of how condensed-phase molecular dynamics are reflected in the line shapes of NMR spectra. The theories establishing connections between random, time-dependent molecular processes and lineshape effects are exposed in depth. Special emphasis is placed on the theoretical aspects, involving in particular intermolecular processes in solution, and molecular symmetry issues. The Liouville super-operator formalism is briefly introduced and used wherever it is beneficial for the transparency of presentation. The proposed formal descriptions of the discussed problems are sufficiently detailed to be implemented on a computer. Practical applications of the theory in solid- and liquid-phase studies are illustrated with appropriate experimental examples, exposing the potential of the lineshape method in elucidating molecular dynamics NMR-observable molecular phenomena where quantization of the spatial nuclear degrees of freedom is crucial are addressed in the last part of the book. As an introduction to this exciting research field, selected aspects of the quantum mechanics of isolated systems undergoing rotational tunnelling are reviewed, together with some basic information about quantum systems interacting with their condensed environment. The quantum theory of rate processes evidenced in the NMR lineshapes of molecular rotors is presented, and illustrated with appropriate experimental examples from both solid- and liquid-phase spectra. In this context, the everlasting problem of the quantum-to-classical transition is discussed at a quantitative level. The book will be suitable for graduate students and new and practising researchers using NMR techniques.

Structure and Dynamics of Atoms and Molecules: Conceptual Trends

Author: Jean-Louis Calais

Publisher: Springer Science & Business Media

Published: 2012-12-06

Total Pages: 269

ISBN-13: 9401102635

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The rivers run into the sea, yet the sea is not full Ecclesiastes What is quantum chemistry? The straightforward answer is that it is what quan tum chemists do. But it must be admitted, that in contrast to physicists and chemists, "quantum chemists" seem to be a rather ill-defined category of scientists. Quantum chemists are more or less physicists (basically theoreticians), more or less chemists, and by and large, computationists. But first and foremost, we, quantum chemists, are conscious beings. We may safely guess that quantum chemistry was one of the first areas in the natural sciences to lie on the boundaries of many disciplines. We may certainly claim that quantum chemists were the first to use computers for really large scale calculations. The scope of the problems which quantum chemistry wishes to answer and which, by its unique nature, only quantum chemistry can answer is growing daily. Retrospectively we may guess that many of those problems meet a daily need, or are say, technical in some sense. The rest are fundamental or conceptual. The daily life of most quantum chemists is usually filled with grasping the more or less technical problems. But it is at least as important to devote some time to the other kind of problems whose solution will open up new perspectives for both quantum chemistry itself and for the natural sciences in general.

Book Synopsis Structure and Dynamics of Atoms and Molecules: Conceptual Trends by : Jean-Louis Calais

Download or read book Structure and Dynamics of Atoms and Molecules: Conceptual Trends written by Jean-Louis Calais and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 269 pages. Available in PDF, EPUB and Kindle. Book excerpt: The rivers run into the sea, yet the sea is not full Ecclesiastes What is quantum chemistry? The straightforward answer is that it is what quan tum chemists do. But it must be admitted, that in contrast to physicists and chemists, "quantum chemists" seem to be a rather ill-defined category of scientists. Quantum chemists are more or less physicists (basically theoreticians), more or less chemists, and by and large, computationists. But first and foremost, we, quantum chemists, are conscious beings. We may safely guess that quantum chemistry was one of the first areas in the natural sciences to lie on the boundaries of many disciplines. We may certainly claim that quantum chemists were the first to use computers for really large scale calculations. The scope of the problems which quantum chemistry wishes to answer and which, by its unique nature, only quantum chemistry can answer is growing daily. Retrospectively we may guess that many of those problems meet a daily need, or are say, technical in some sense. The rest are fundamental or conceptual. The daily life of most quantum chemists is usually filled with grasping the more or less technical problems. But it is at least as important to devote some time to the other kind of problems whose solution will open up new perspectives for both quantum chemistry itself and for the natural sciences in general.

Time-Dependent Quantum Molecular Dynamics

Author: J. Broeckhove

Publisher: Springer Science & Business Media

Published: 2013-11-21

Total Pages: 422

ISBN-13: 1489923268

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From March 30th to April 3rd, 1992, a NATO Advanced Research workshop entitled "Time Dependent Quantum Molecular Dynamics: Theory and Experiment" was held at Snowbird, Utah. The organizing committee consisted of J. BROECKHOVE (Antwerp, Belgium), L. CEDERBAUM (Heidelberg, Germany), L. LATHOUWERS (Antwerp, Belgium), N. OHRN (Gainesville, Florida) and J. SIMONS (Salt Lake City, Utah). Fifty-two participants from eleven different countries attended the meeting at which thirty-three talks and one poster session were held. Twenty-eight participants submitted contributions to the proceedings of the meeting, which are reproduced in this volume. The workshop brought together experts in different areas 0 f molecular quantum dynamics, all adhering to the time dependent approach. The aim was to discuss and compare methods and applications. The ~amiliarityo~ the aUdience with the concepts o~ time dependent approaches greatly facilitated topical discussions and probing towards new applications. A broad area of subject matter was covered including time resolved laser chemistry, intramolecular dynamics, photodissociation dynamics, reactive and inelastic collisions as well as new time dependent methodologies. This diversity in applications is reflected in the contributions included in this volume .

Book Synopsis Time-Dependent Quantum Molecular Dynamics by : J. Broeckhove

Download or read book Time-Dependent Quantum Molecular Dynamics written by J. Broeckhove and published by Springer Science & Business Media. This book was released on 2013-11-21 with total page 422 pages. Available in PDF, EPUB and Kindle. Book excerpt: From March 30th to April 3rd, 1992, a NATO Advanced Research workshop entitled "Time Dependent Quantum Molecular Dynamics: Theory and Experiment" was held at Snowbird, Utah. The organizing committee consisted of J. BROECKHOVE (Antwerp, Belgium), L. CEDERBAUM (Heidelberg, Germany), L. LATHOUWERS (Antwerp, Belgium), N. OHRN (Gainesville, Florida) and J. SIMONS (Salt Lake City, Utah). Fifty-two participants from eleven different countries attended the meeting at which thirty-three talks and one poster session were held. Twenty-eight participants submitted contributions to the proceedings of the meeting, which are reproduced in this volume. The workshop brought together experts in different areas 0 f molecular quantum dynamics, all adhering to the time dependent approach. The aim was to discuss and compare methods and applications. The ~amiliarityo~ the aUdience with the concepts o~ time dependent approaches greatly facilitated topical discussions and probing towards new applications. A broad area of subject matter was covered including time resolved laser chemistry, intramolecular dynamics, photodissociation dynamics, reactive and inelastic collisions as well as new time dependent methodologies. This diversity in applications is reflected in the contributions included in this volume .

Chiral Matter - Proceedings Of The Nobel Symposium 167

Author: Egor Babaev

Publisher: World Scientific

Published: 2023-02-13

Total Pages: 277

ISBN-13: 9811265070

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A geometric figure has chirality, or handedness, if its mirror image cannot be brought to coincide with itself. The concept of chirality was instrumental in establishing the tetrahedral valences of the carbon atom, and has continued to play a key role in chemistry and molecular biology ever since.The fact that living organisms use only one of two mirror isomers of such molecules as amino acids and sugars, that is, the question of the origin of homochirality of the molecular basis of life, remains an unsolved problem of the same dignity as the origin of dark matter and dark energy.The increasing importance of chirality and topology in condensed matter physics and chemistry, and the production of new states of matter in heavy-ion collisions, have brought the concept of chirality into physics and cosmology in a tangible way while at the same time expanded the physics/chemistry interface. The book is the first to address all aspects of chirality in a single volume.

Book Synopsis Chiral Matter - Proceedings Of The Nobel Symposium 167 by : Egor Babaev

Download or read book Chiral Matter - Proceedings Of The Nobel Symposium 167 written by Egor Babaev and published by World Scientific. This book was released on 2023-02-13 with total page 277 pages. Available in PDF, EPUB and Kindle. Book excerpt: A geometric figure has chirality, or handedness, if its mirror image cannot be brought to coincide with itself. The concept of chirality was instrumental in establishing the tetrahedral valences of the carbon atom, and has continued to play a key role in chemistry and molecular biology ever since.The fact that living organisms use only one of two mirror isomers of such molecules as amino acids and sugars, that is, the question of the origin of homochirality of the molecular basis of life, remains an unsolved problem of the same dignity as the origin of dark matter and dark energy.The increasing importance of chirality and topology in condensed matter physics and chemistry, and the production of new states of matter in heavy-ion collisions, have brought the concept of chirality into physics and cosmology in a tangible way while at the same time expanded the physics/chemistry interface. The book is the first to address all aspects of chirality in a single volume.

Handbook of High-resolution Spectroscopy

Author: Martin Quack

Publisher: John Wiley & Sons

Published: 2011-09-26

Total Pages: 2236

ISBN-13: 0470066539

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The field of High-Resolution Spectroscopy has been considerably extended and even redefined in some areas. Combining the knowledge of spectroscopy, laser technology, chemical computation, and experiments, Handbook of High-Resolution Spectroscopy provides a comprehensive survey of the whole field as it presents itself today, with emphasis on the recent developments. This essential handbook for advanced research students, graduate students, and researchers takes a systematic approach through the range of wavelengths and includes the latest advances in experiment and theory that will help and guide future applications. The first comprehensive survey in high-resolution molecular spectroscopy for over 15 years Brings together the knowledge of spectroscopy, laser technology, chemical computation and experiments Brings the reader up-to-date with the many advances that have been made in recent times Takes the reader through the range of wavelengths, covering all possible techniques such as Microwave Spectroscopy, Infrared Spectroscopy, Raman Spectroscopy, VIS, UV and VUV Combines theoretical, computational and experimental aspects Has numerous applications in a wide range of scientific domains Edited by two leaders in this field Provides an overview of rotational, vibration, electronic and photoelectron spectroscopy Volume 1 - Introduction: Fundamentals of Molecular Spectroscopy Volume 2 - High-Resolution Molecular Spectroscopy: Methods and Results Volume 3 - Special Methods & Applications

Book Synopsis Handbook of High-resolution Spectroscopy by : Martin Quack

Download or read book Handbook of High-resolution Spectroscopy written by Martin Quack and published by John Wiley & Sons. This book was released on 2011-09-26 with total page 2236 pages. Available in PDF, EPUB and Kindle. Book excerpt: The field of High-Resolution Spectroscopy has been considerably extended and even redefined in some areas. Combining the knowledge of spectroscopy, laser technology, chemical computation, and experiments, Handbook of High-Resolution Spectroscopy provides a comprehensive survey of the whole field as it presents itself today, with emphasis on the recent developments. This essential handbook for advanced research students, graduate students, and researchers takes a systematic approach through the range of wavelengths and includes the latest advances in experiment and theory that will help and guide future applications. The first comprehensive survey in high-resolution molecular spectroscopy for over 15 years Brings together the knowledge of spectroscopy, laser technology, chemical computation and experiments Brings the reader up-to-date with the many advances that have been made in recent times Takes the reader through the range of wavelengths, covering all possible techniques such as Microwave Spectroscopy, Infrared Spectroscopy, Raman Spectroscopy, VIS, UV and VUV Combines theoretical, computational and experimental aspects Has numerous applications in a wide range of scientific domains Edited by two leaders in this field Provides an overview of rotational, vibration, electronic and photoelectron spectroscopy Volume 1 - Introduction: Fundamentals of Molecular Spectroscopy Volume 2 - High-Resolution Molecular Spectroscopy: Methods and Results Volume 3 - Special Methods & Applications

Dynamical Symmetries for Nanostructures

Author: Konstantin Kikoin

Publisher: Springer Science & Business Media

Published: 2011-12-01

Total Pages: 359

ISBN-13: 3211997245

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Group theoretical concepts elucidate fundamental physical phenomena, including excitation spectra of quantum systems and complex geometrical structures such as molecules and crystals. These concepts are extensively covered in numerous textbooks. The aim of the present monograph is to illuminate more subtle aspects featuring group theory for quantum mechanics, that is, the concept of dynamical symmetry. Dynamical symmetry groups complement the conventional groups: their elements induce transitions between states belonging to different representations of the symmetry group of the Hamiltonian. Dynamical symmetry appears as a hidden symmetry in the hydrogen atom and quantum rotator problem, but its main role is manifested in nano and meso systems. Such systems include atomic clusters, large molecules, quantum dots attached to metallic electrodes, etc. They are expected to be the building blocks of future quantum electronic devices and information transmitting algorithms. Elucidation of the electronic properties of such systems is greatly facilitated by applying concepts of dynamical group theory.

Book Synopsis Dynamical Symmetries for Nanostructures by : Konstantin Kikoin

Download or read book Dynamical Symmetries for Nanostructures written by Konstantin Kikoin and published by Springer Science & Business Media. This book was released on 2011-12-01 with total page 359 pages. Available in PDF, EPUB and Kindle. Book excerpt: Group theoretical concepts elucidate fundamental physical phenomena, including excitation spectra of quantum systems and complex geometrical structures such as molecules and crystals. These concepts are extensively covered in numerous textbooks. The aim of the present monograph is to illuminate more subtle aspects featuring group theory for quantum mechanics, that is, the concept of dynamical symmetry. Dynamical symmetry groups complement the conventional groups: their elements induce transitions between states belonging to different representations of the symmetry group of the Hamiltonian. Dynamical symmetry appears as a hidden symmetry in the hydrogen atom and quantum rotator problem, but its main role is manifested in nano and meso systems. Such systems include atomic clusters, large molecules, quantum dots attached to metallic electrodes, etc. They are expected to be the building blocks of future quantum electronic devices and information transmitting algorithms. Elucidation of the electronic properties of such systems is greatly facilitated by applying concepts of dynamical group theory.