Symmetry of Intramolecular Quantum Dynamics

Symmetry of Intramolecular Quantum Dynamics
Author: Alexander V. Burenin
Publisher: Walter de Gruyter
Total Pages: 444
Release: 2012-12-06
Genre: Science
ISBN: 3110267640

Download Symmetry of Intramolecular Quantum Dynamics Book in PDF, Epub and Kindle

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

Chemical Physics and Quantum Chemistry
Author:
Publisher: Academic Press
Total Pages: 350
Release: 2020-09-18
Genre: Science
ISBN: 0128197587

Download Chemical Physics and Quantum Chemistry Book in PDF, Epub and Kindle

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

Molecular Spectroscopy and Quantum Dynamics
Author: Roberto Marquardt
Publisher: Elsevier
Total Pages: 376
Release: 2020-09-18
Genre: Science
ISBN: 0128172355

Download Molecular Spectroscopy and Quantum Dynamics Book in PDF, Epub and Kindle

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

Classical and Quantum Molecular Dynamics in NMR Spectra

Classical and Quantum Molecular Dynamics in NMR Spectra
Author: Sławomir Szymański
Publisher: Springer
Total Pages: 402
Release: 2018-05-24
Genre: Science
ISBN: 3319907816

Download Classical and Quantum Molecular Dynamics in NMR Spectra Book in PDF, Epub and Kindle

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.

Intramolecular Dynamics

Intramolecular Dynamics
Author: Joshua Jortner
Publisher: Springer Science & Business Media
Total Pages: 550
Release: 2012-12-06
Genre: Science
ISBN: 9400979274

Download Intramolecular Dynamics Book in PDF, Epub and Kindle

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.

Structure and Dynamics of Atoms and Molecules: Conceptual Trends

Structure and Dynamics of Atoms and Molecules: Conceptual Trends
Author: Jean-Louis Calais
Publisher: Springer Science & Business Media
Total Pages: 269
Release: 2012-12-06
Genre: Science
ISBN: 9401102635

Download Structure and Dynamics of Atoms and Molecules: Conceptual Trends Book in PDF, Epub and Kindle

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

Time-Dependent Quantum Molecular Dynamics
Author: J. Broeckhove
Publisher: Springer Science & Business Media
Total Pages: 422
Release: 2013-11-21
Genre: Science
ISBN: 1489923268

Download Time-Dependent Quantum Molecular Dynamics Book in PDF, Epub and Kindle

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

Chiral Matter - Proceedings Of The Nobel Symposium 167
Author: Egor Babaev
Publisher: World Scientific
Total Pages: 277
Release: 2023-02-13
Genre: Science
ISBN: 9811265070

Download Chiral Matter - Proceedings Of The Nobel Symposium 167 Book in PDF, Epub and Kindle

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

Handbook of High-resolution Spectroscopy
Author: Martin Quack
Publisher: John Wiley & Sons
Total Pages: 2236
Release: 2011-09-26
Genre: Science
ISBN: 0470066539

Download Handbook of High-resolution Spectroscopy Book in PDF, Epub and Kindle

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

Dynamical Symmetries for Nanostructures
Author: Konstantin Kikoin
Publisher: Springer Science & Business Media
Total Pages: 359
Release: 2011-12-01
Genre: Technology & Engineering
ISBN: 3211997245

Download Dynamical Symmetries for Nanostructures Book in PDF, Epub and Kindle

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.