Quantum Chemistry and Dynamics of Excited States

Quantum Chemistry and Dynamics of Excited States

Author: Leticia González

Publisher: John Wiley & Sons

Published: 2021-02-01

Total Pages: 52

ISBN-13: 1119417759

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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.


Introduction to Quantum Control and Dynamics

Introduction to Quantum Control and Dynamics

Author: Domenico D'Alessandro

Publisher: CRC Press

Published: 2007-08-03

Total Pages: 359

ISBN-13: 1584888830

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The introduction of control theory in quantum mechanics has created a rich, new interdisciplinary scientific field, which is producing novel insight into important theoretical questions at the heart of quantum physics. Exploring this emerging subject, Introduction to Quantum Control and Dynamics presents the mathematical concepts and fundamental ph


Quantum Dynamics with Trajectories

Quantum Dynamics with Trajectories

Author: Robert E. Wyatt

Publisher: Springer Science & Business Media

Published: 2006-05-28

Total Pages: 425

ISBN-13: 0387281452

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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


Intermediate Spectral Theory and Quantum Dynamics

Intermediate Spectral Theory and Quantum Dynamics

Author: César R. de Oliveira

Publisher: Springer Science & Business Media

Published: 2008-12-30

Total Pages: 418

ISBN-13: 3764387955

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The spectral theory of linear operators plays a key role in the mathematical formulation of quantum theory. This textbook provides a concise and comprehensible introduction to the spectral theory of (unbounded) self-adjoint operators and its application in quantum dynamics. Many examples and exercises are included that focus on quantum mechanics.


Advances in Quantum Systems in Chemistry, Physics, and Biology

Advances in Quantum Systems in Chemistry, Physics, and Biology

Author: Liliana Mammino

Publisher: Springer Nature

Published: 2020-02-05

Total Pages: 472

ISBN-13: 3030349411

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This edited, multi-author book gathers selected, peer-reviewed contributions based on papers presented at the 23rd International Workshop on Quantum Systems in Chemistry, Physics, and Biology (QSCP-XXIII), held in Mopani Camp, The Kruger National Park, South Africa, in September 2018. The content is primarily intended for scholars, researchers, and graduate students working at universities and scientific institutes who are interested in the structure, properties, dynamics, and spectroscopy of atoms, molecules, biological systems, and condensed matter.


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

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

Author: Alexander V. Glushkov

Publisher: Springer Nature

Published: 2021-06-29

Total Pages: 358

ISBN-13: 3030683141

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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.


Multidimensional Quantum Dynamics

Multidimensional Quantum Dynamics

Author: Hans-Dieter Meyer

Publisher: John Wiley & Sons

Published: 2009-05-26

Total Pages: 447

ISBN-13: 3527320180

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The first book dedicated to this new and powerful computational method begins with a comprehensive description of MCTDH and its theoretical background. There then follows a discussion of recent extensions of MCTDH, such as the treatment of identical particles, leading to the MCTDHF and MCTDHB methods for fermions and bosons. The third section presents a wide spectrum of very different applications to reflect the large diversity of problems that can be tackled by MCTDH. The result is handbook and ready reference for theoretical chemists, physicists, chemists, graduate students, lecturers and software producers.


Advances in Chemical Physics, Volume 163

Advances in Chemical Physics, Volume 163

Author: K. Birgitta Whaley

Publisher: John Wiley & Sons

Published: 2018-03-26

Total Pages: 371

ISBN-13: 1119375053

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The Advances in Chemical Physics series provides the chemical physics field with a forum for critical, authoritative evaluations of advances in every area of the discipline. • This is the only series of volumes available that presents the cutting edge of research in chemical physics • Includes 10 contributions from leading experts in this field of research • Contains a representative cross-section of research in chemical reaction dynamics and state of the art quantum description of intramolecular and intermolecular dynamics • Structured with an editorial framework that makes the book an excellent supplement to an advanced graduate class in physical chemistry, chemical physics, or molecular physics


Advances in Quantum Chemistry

Advances in Quantum Chemistry

Author:

Publisher: Academic Press

Published: 1997-03-20

Total Pages: 392

ISBN-13: 0080582532

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Advances in Quantum Chemistry publishes surveys of current developments in the rapidly developing field of quantum chemistry--a field that falls between the historically established areas of mathematics, physics,chemistry, and biology. With invited reviews written by leading international researchers, each presenting new results, this quality serial provides a single vehicle for following progress in this interdisciplinary area. "Volume 28 collects papers written in honor of Geerd H.F. Diercksen. Diercksen is a pioneer in the field of quantum mechanics whose research includes studies of the structure and stability of hydrogen-bonded and Van der Waals dimers and small clusters, thevibrational and rotational spectra of diatomic and triatomic molecules, on static electric properties in solutions and of molecules absorbed on surfaces. His results are essential in molecular and atomic physics, in astrophysics, and in biochemistry.


Advances in the Theory of Quantum Systems in Chemistry and Physics

Advances in the Theory of Quantum Systems in Chemistry and Physics

Author: Philip E. Hoggan

Publisher: Springer Science & Business Media

Published: 2011-11-16

Total Pages: 630

ISBN-13: 9400720769

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Advances in the Theory of Quantum Systems in Chemistry and Physics is a collection of 32 selected papers from the scientific contributions presented at the 15th International Workshop on Quantum Systems in Chemistry and Physics (QSCP-XV), held at Magdalene College, Cambridge, UK, from August 31st to September 5th, 2010. This volume discusses the state of the art, new trends, and the future of methods in molecular quantum mechanics and their applications to a wide range of problems in chemistry, physics, and biology. The breadth and depth of the scientific topics discussed during QSCP-XV are gathered in seven sections: I. Fundamental Theory; II. Model Atoms; III. Atoms and Molecules with Exponential-Type Orbitals; IV. Density-Oriented Methods; V. Dynamics and Quantum Monte-Carlo Methodology; VI. Structure and Reactivity; VII. Complex Systems, Solids, Biophysics. Advances in the Theory of Quantum Systems in Chemistry and Physics is written for research students and professionals in Quantum systems of chemistry and physics. It also constitutes and invaluable guide for those wishing to familiarize themselves with research perspectives in the domain of quantum systems for thematic conversion or simply to gain insight into the methodological developments and applications to physics chemistry and biology that have actually become feasible by the end of 2010.