Quantum Dynamics Of Complex Molecular Systems

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Quantum Dynamics of Complex Molecular Systems

Author : David A. Micha
Publisher : Springer Science & Business Media
ISBN 13 : 3540344608
Total Pages : 424 pages
Book Rating : 4.5/5 (43 download)

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Book Synopsis Quantum Dynamics of Complex Molecular Systems by : David A. Micha

Download or read book Quantum Dynamics of Complex Molecular Systems written by David A. Micha and published by Springer Science & Business Media. This book was released on 2006-11-22 with total page 424 pages. Available in PDF, EPUB and Kindle. Book excerpt: Quantum phenomena are ubiquitous in complex molecular systems - as revealed by many experimental observations based upon ultrafast spectroscopic techniques - and yet remain a challenge for theoretical analysis. The present volume, based on a May 2005 workshop, examines and reviews the state-of-the-art in the development of new theoretical and computational methods to interpret the observed phenomena. Emphasis is on complex molecular processes involving surfaces, clusters, solute-solvent systems, materials, and biological systems. The research summarized in this book shows that much can be done to explain phenomena in systems excited by light or through atomic interactions. It demonstrates how to tackle the multidimensional dynamics arising from the atomic structure of a complex system, and addresses phenomena in condensed phases as well as phenomena at surfaces. The chapters on new methodological developments cover both phenomena in isolated systems, and phenomena which involve the statistical effects of an environment, such as fluctuations and dissipation. The methodology part explores new rigorous ways to formulate mixed quantum-classical dynamics in many dimensions, along with new ways to solve a many-atom Schroedinger equation, or the Liouville-von Neumann equation for the density operator, using trajectories and ideas related to hydrodynamics. Part I treats applications to complex molecular systems, and Part II covers new theoretical and computational methods

Coherent Dynamics of Complex Quantum Systems

Author : Vladimir M. Akulin
Publisher : Springer Science & Business Media
ISBN 13 : 3540292713
Total Pages : 477 pages
Book Rating : 4.5/5 (42 download)

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Book Synopsis Coherent Dynamics of Complex Quantum Systems by : Vladimir M. Akulin

Download or read book Coherent Dynamics of Complex Quantum Systems written by Vladimir M. Akulin and published by Springer Science & Business Media. This book was released on 2005-12-21 with total page 477 pages. Available in PDF, EPUB and Kindle. Book excerpt: Coherent Dynamics of Complex Quantum Systems is aimed at senior-level undergraduate students in the areas of atomic, molecular, and laser physics, physical chemistry, quantum optics and quantum informatics. It should help them put particular problems in these fields into a broader scientific context and thereby take advantage of the well-elaborated technique of the adjacent fields.

Quantum Modeling of Complex Molecular Systems

Author : Jean-Louis Rivail
Publisher : Springer
ISBN 13 : 3319216260
Total Pages : 523 pages
Book Rating : 4.3/5 (192 download)

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Book Synopsis Quantum Modeling of Complex Molecular Systems by : Jean-Louis Rivail

Download or read book Quantum Modeling of Complex Molecular Systems written by Jean-Louis Rivail and published by Springer. This book was released on 2015-10-13 with total page 523 pages. Available in PDF, EPUB and Kindle. Book excerpt: This multi-author contributed volume includes methodological advances and original applications to actual chemical or biochemical phenomena which were not possible before the increased sophistication of modern computers. The chapters contain detailed reviews of the developments of various computational techniques, used to study complex molecular systems such as molecular liquids and solutions (particularly aqueous solutions), liquid-gas, solid-gas interphase and biomacromolecular systems. Quantum modeling of complex molecular systems is a useful resource for graduate students and fledgling researchers and is also an excellent companion for research professionals engaged in computational chemistry, material science, nanotechnology, physics, drug design, and molecular biochemistry.

Advances in the Theory of Atomic and Molecular Systems

Author : Piotr Piecuch
Publisher : Springer Science & Business Media
ISBN 13 : 9048129850
Total Pages : 288 pages
Book Rating : 4.0/5 (481 download)

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Book Synopsis Advances in the Theory of Atomic and Molecular Systems by : Piotr Piecuch

Download or read book Advances in the Theory of Atomic and Molecular Systems written by Piotr Piecuch and published by Springer Science & Business Media. This book was released on 2009-09-30 with total page 288 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in the Theory of Atomic and Molecular Systems, is a collection of contributions presenting recent theoretical and computational developments that provide new insights into the structure, properties, and behavior of a variety of atomic and molecular systems. This volume (subtitled “Dynamics, Spectroscopy, Clusters, and Nanostructures”) deals with the topics of “Quantum Dynamics and Spectroscopy”, “Complexes and Clusters”, and “Nanostructures and Complex Systems”. This volume is an invaluable resource for faculty, graduate students, and researchers interested in theoretical and computational chemistry and physics, physical chemistry and chemical physics, molecular spectroscopy, and related areas of science and engineering.

Large-Scale Molecular Systems

Author : Werner Gans
Publisher : Springer Science & Business Media
ISBN 13 : 1468459406
Total Pages : 588 pages
Book Rating : 4.4/5 (684 download)

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Book Synopsis Large-Scale Molecular Systems by : Werner Gans

Download or read book Large-Scale Molecular Systems written by Werner Gans and published by Springer Science & Business Media. This book was released on 2013-03-08 with total page 588 pages. Available in PDF, EPUB and Kindle. Book excerpt: This NATO Advanced Study Institute centered on large-scale molecular systems: Quantum mechanics, although providing a general framework for the description of matter, is not easily applicable to many concrete systems of interest; classical statistical methods, on the other hand, allow only a partial picture of the behaviour of large systems. The aim of the ASI was to present both aspects of the subject matter and to foster interaction between the scientists working in these important areas of theoretical physics and theoretical chemistry. The quantum-mechanical part was mostly based on the operator-algebraic formulation of quantum mechanics and comprised quantum statistics of infinite systems with special em phasis on macroscopic observables, equilibrium conditions, irreversibility on the one hand, symmetry breaking for molecules in the radiation field and macroscopic quantum phenomena in the theory of superconductivity (BCS-theory) on the other hand. In addition, phase-space methods for many-body systems were also presented. Statistical physics was the main topic in the other lectures of the School; much emphasis was put on the statistical features of macros copic ("large") systems, the lectures dealt with mass and energy transport im polymers, in gels and in microemulsions, with aggregation and growth phenomena, with relaxation in complex, correlated systems, with conduction and optical properties of polymers, and with the means of describing disordered systems, above all fractals and related hierarchical models.

Molecular Spectroscopy and Quantum Dynamics

Author : Roberto Marquardt
Publisher : Elsevier
ISBN 13 : 0128172355
Total Pages : 376 pages
Book Rating : 4.1/5 (281 download)

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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

Advances in the Theory of Atomic and Molecular Systems

Author : Piotr Piecuch
Publisher : Springer
ISBN 13 : 9789400730502
Total Pages : 448 pages
Book Rating : 4.7/5 (35 download)

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Book Synopsis Advances in the Theory of Atomic and Molecular Systems by : Piotr Piecuch

Download or read book Advances in the Theory of Atomic and Molecular Systems written by Piotr Piecuch and published by Springer. This book was released on 2012-03-14 with total page 448 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in the Theory of Atomic and Molecular Systems, is a collection of contributions presenting recent theoretical and computational developments that provide new insights into the structure, properties, and behavior of a variety of atomic and molecular systems. This volume (subtitled: Conceptual and Computational Advances in Quantum Chemistry) focuses on electronic structure theory and its foundations. This volume is an invaluable resource for faculty, graduate students, and researchers interested in theoretical and computational chemistry and physics, physical chemistry and chemical physics, molecular spectroscopy, and related areas of science and engineering.

Chemical Dynamics in Condensed Phases

Author : Abraham Nitzan
Publisher : Oxford University Press
ISBN 13 : 9780198529798
Total Pages : 743 pages
Book Rating : 4.5/5 (297 download)

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Book Synopsis Chemical Dynamics in Condensed Phases by : Abraham Nitzan

Download or read book Chemical Dynamics in Condensed Phases written by Abraham Nitzan and published by Oxford University Press. This book was released on 2006-04-06 with total page 743 pages. Available in PDF, EPUB and Kindle. Book excerpt: Graduate level textbook presenting some of the most fundamental processes that underlie physical, chemical and biological phenomena in complex condensed phase systems. Includes in-depth descriptions of relevant methodologies, and provides ample introductory material for readers of different backgrounds.

Molecular Quantum Dynamics

Author : Fabien Gatti
Publisher : Springer Science & Business Media
ISBN 13 : 3642452906
Total Pages : 281 pages
Book Rating : 4.6/5 (424 download)

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Book Synopsis Molecular Quantum Dynamics by : Fabien Gatti

Download or read book Molecular Quantum Dynamics written by Fabien Gatti and published by Springer Science & Business Media. This book was released on 2014-04-09 with total page 281 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Hierarchical Methods for Dynamics in Complex Molecular Systems

Author : Johannes Grotendorst
Publisher : Forschungszentrum Jülich
ISBN 13 : 3893367683
Total Pages : 557 pages
Book Rating : 4.8/5 (933 download)

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Book Synopsis Hierarchical Methods for Dynamics in Complex Molecular Systems by : Johannes Grotendorst

Download or read book Hierarchical Methods for Dynamics in Complex Molecular Systems written by Johannes Grotendorst and published by Forschungszentrum Jülich. This book was released on 2012 with total page 557 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Quantum Dynamics with Trajectories

Author : Robert E. Wyatt
Publisher : Springer Science & Business Media
ISBN 13 : 0387281452
Total Pages : 425 pages
Book Rating : 4.3/5 (872 download)

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Book Synopsis Quantum Dynamics with Trajectories by : Robert E. Wyatt

Download or read book Quantum Dynamics with Trajectories written by Robert E. Wyatt and published by Springer Science & Business Media. This book was released on 2006-05-28 with total page 425 pages. Available in PDF, EPUB and Kindle. Book excerpt: This is a rapidly developing field to which the author is a leading contributor New methods in quantum dynamics and computational techniques, with applications to interesting physical problems, are brought together in this book Useful to both students and researchers

Charge and Energy Transfer Dynamics in Molecular Systems

Author : Volkhard May
Publisher : John Wiley & Sons
ISBN 13 : 3527339787
Total Pages : 549 pages
Book Rating : 4.5/5 (273 download)

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Book Synopsis Charge and Energy Transfer Dynamics in Molecular Systems by : Volkhard May

Download or read book Charge and Energy Transfer Dynamics in Molecular Systems written by Volkhard May and published by John Wiley & Sons. This book was released on 2023-08-28 with total page 549 pages. Available in PDF, EPUB and Kindle. Book excerpt: Charge and Energy Transfer Dynamics in Molecular Systems Comprehensive resource offering knowledge on charge and energy transfer dynamics in molecular systems and nanostructures Charge and Energy Transfer Dynamics in Molecular Systems provides a unified description of different charge and energy transfer phenomena in molecular systems with emphasis on the theory, bridging the regimes of coherent and dissipative dynamics and thus presenting classic rate theories as well as modern treatments of ultrafast phenomena. Starting from microscopic models, the common features of the different transfer processes are highlighted, along with applications ranging from vibrational energy flow in large polyatomic molecules, the motion of protons in solution, up to the concerted dynamics of electronic and nuclear degrees of freedom in molecules and molecular aggregates. The newly revised and updated Fourth Edition contains a more detailed coverage of recent developments in density matrix theory, mixed quantum-classical methods for dynamics simulations, and a substantially expanded treatment of time-resolved spectroscopy. The book is written in an easy-to-follow style, including detailed mathematical derivations, thus making even complex concepts understandable and applicable. Charge and Energy Transfer Dynamics in Molecular Systems includes information on: Electronic and vibrational molecular states, covering molecular Schrödinger equation, Born—Oppenheimer separation and approximation, Hartree-Fock equations and other electronic structure methods Dynamics of isolated and open quantum systems, covering multidimensional wave packet dynamics, and different variants of density operator equations Interaction of molecular systems with radiation fields, covering linear and nonlinear optical response using the correlation function approach Intramolecular electronic transitions, covering optical transition and internal conversion processes Transfer processes of electrons, protons, and electronic excitation energy Providing in-depth coverage of the subject, Charge and Energy Transfer Dynamics in Molecular Systems is an essential resource for anyone working on timely problems of energy and charge transfer in physics, chemistry and biophysics as well as for all engaged in nanoscience and organic electronics.

Quantum Dynamics

Author : Eric R. Bittner
Publisher : CRC Press
ISBN 13 : 1439882142
Total Pages : 334 pages
Book Rating : 4.4/5 (398 download)

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Book Synopsis Quantum Dynamics by : Eric R. Bittner

Download or read book Quantum Dynamics written by Eric R. Bittner and published by CRC Press. This book was released on 2009-07-21 with total page 334 pages. Available in PDF, EPUB and Kindle. Book excerpt: Even though time-dependent spectroscopic techniques continue to push the frontier of chemical physics, they receive scant mention in introductory courses and are poorly covered in standard texts. Quantum Dynamics: Applications in Biological and Materials Systems bridges the gap between what is traditionally taught in a one-semester quantum chemistr

Theory and Application of Quantum Molecular Dynamics

Author : John Z. H. Zhang
Publisher : World Scientific
ISBN 13 : 9789810233884
Total Pages : 390 pages
Book Rating : 4.2/5 (338 download)

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Book Synopsis Theory and Application of Quantum Molecular Dynamics by : John Z. H. Zhang

Download or read book Theory and Application of Quantum Molecular Dynamics written by John Z. H. Zhang and published by World Scientific. This book was released on 1999 with total page 390 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book gives an updated and detailed presentation of modern quantum-mechanical treatments and practical computational methods for dynamical processes of small molecular systems. The main emphasis is on the recent development of successful theories and computational methods for the reactive scattering process. Specific applications are given in detail for a number of benchmark chemical reaction systems in the gas phase and gas surface. Differing from traditional physics books focusing on abstract collision theory for elastic collisions, the book has been written in a fashion in which the development of general reactive or rearrangement scattering theory is accompanied by practical applications for realistic reaction systems.

Quantum Chemistry and Dynamics of Excited States

Author : Leticia González
Publisher : John Wiley & Sons
ISBN 13 : 1119417759
Total Pages : 52 pages
Book Rating : 4.1/5 (194 download)

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Book Synopsis Quantum Chemistry and Dynamics of Excited States by : Leticia González

Download or read book Quantum Chemistry and Dynamics of Excited States written by Leticia González and published by John Wiley & Sons. This book was released on 2021-02-01 with total page 52 pages. Available in PDF, EPUB and Kindle. Book excerpt: An introduction to the rapidly evolving methodology of electronic excited states For academic researchers, postdocs, graduate and undergraduate students, Quantum Chemistry and Dynamics of Excited States: Methods and Applications reports the most updated and accurate theoretical techniques to treat electronic excited states. From methods to deal with stationary calculations through time-dependent simulations of molecular systems, this book serves as a guide for beginners in the field and knowledge seekers alike. Taking into account the most recent theory developments and representative applications, it also covers the often-overlooked gap between theoretical and computational chemistry. An excellent reference for both researchers and students, Excited States provides essential knowledge on quantum chemistry, an in-depth overview of the latest developments, and theoretical techniques around the properties and nonadiabatic dynamics of chemical systems. Readers will learn: ● Essential theoretical techniques to describe the properties and dynamics of chemical systems ● Electronic Structure methods for stationary calculations ● Methods for electronic excited states from both a quantum chemical and time-dependent point of view ● A breakdown of the most recent developments in the past 30 years For those searching for a better understanding of excited states as they relate to chemistry, biochemistry, industrial chemistry, and beyond, Quantum Chemistry and Dynamics of Excited States provides a solid education in the necessary foundations and important theories of excited states in photochemistry and ultrafast phenomena.

Molecular Quantum Mechanics

Author : Peter W. Atkins
Publisher : Oxford University Press
ISBN 13 : 0199541426
Total Pages : 552 pages
Book Rating : 4.1/5 (995 download)

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Book Synopsis Molecular Quantum Mechanics by : Peter W. Atkins

Download or read book Molecular Quantum Mechanics written by Peter W. Atkins and published by Oxford University Press. This book was released on 2011 with total page 552 pages. Available in PDF, EPUB and Kindle. Book excerpt: This text unravels those fundamental physical principles which explain how all matter behaves. It takes us from the foundations of quantum mechanics, through quantum models of atomic, molecular, and electronic structure, and on to discussions of spectroscopy, and the electronic and magnetic properties of molecules.

Advances in Methods and Applications of Quantum Systems in Chemistry, Physics, and Biology

Author : Alexander V. Glushkov
Publisher : Springer Nature
ISBN 13 : 3030683141
Total Pages : 358 pages
Book Rating : 4.0/5 (36 download)

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Book Synopsis Advances in Methods and Applications of Quantum Systems in Chemistry, Physics, and Biology by : Alexander V. Glushkov

Download or read book Advances in Methods and Applications of Quantum Systems in Chemistry, Physics, and Biology written by Alexander V. Glushkov and published by Springer Nature. This book was released on 2021-06-29 with total page 358 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book reviews the most significant advances in concepts, methods, and applications of quantum systems in a broad variety of problems in modern chemistry, physics, and biology. In particular, it discusses atomic, molecular, and solid structure, dynamics and spectroscopy, relativistic and correlation effects in quantum chemistry, topics of computational chemistry, physics and biology, as well as applications of theoretical chemistry and physics in advanced molecular and nano-materials and biochemical systems. The book contains peer-reviewed contributions written by leading experts in the fields and based on the presentations given at the Twenty-Fourth International Workshop on Quantum Systems in Chemistry, Physics, and Biology held in Odessa, Ukraine, in August 2019. This book is aimed at advanced graduate students, academics, and researchers, both in university and corporation laboratories, interested in state-of-the-art and novel trends in quantum chemistry, physics, biology, and their applications.