Conceptual Perspectives In Quantum Chemistry
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Conceptual Perspectives In Quantum Chemistry
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Author : Jean-Louis Calais
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Conceptual Perspectives In Quantum Chemistry written by Jean-Louis Calais and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-06 with Science categories.
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 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.
Philosophical Perspectives In Quantum Chemistry
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Author : Olimpia Lombardi
language : en
Publisher: Springer Nature
Release Date : 2022-05-16
Philosophical Perspectives In Quantum Chemistry written by Olimpia Lombardi and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-05-16 with Science categories.
This book explores the philosophy and the foundations of quantum chemistry. It features chapters written by experts in the field. The contributions analyze quantum chemistry as a discipline, in particular, its relation with both chemistry and physics from the viewpoint of realism and reduction. Coverage includes such topics as quantum chemistry as an “in-between” discipline, molecular structure and quantum mechanics, quantum chemical models, and atoms and molecules in quantum chemistry. The interest of this book is twofold. First, the contributions aim to update and refresh the discussions regarding the foundations of quantum chemistry. Second, they seek to develop new philosophical perspectives that this discipline can suggest to philosophers of science. From its origins, quantum chemistry filled a problematic position in the disciplinary space. On the one hand, it is a branch of theoretical chemistry. On the other hand, it appeals essentially to theoretical tools coming from physics. This peculiar position triggered conceptual questions about its own identity. Inside this book, readers will find updated discussions on the foundations and the philosophy of this complex discipline.
Fundamental World Of Quantum Chemistry
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Author : Erkki J. Brändas
language : en
Publisher: Springer Science & Business Media
Release Date : 2013-03-09
Fundamental World Of Quantum Chemistry written by Erkki J. Brändas and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-03-09 with Science categories.
Per-Olov Löwdin's stature has been a symbol of the world of quantum theory during the past five decades, through his basic contributions to the development of the conceptual framework of Quantum Chemistry and introduction of the fundamental concepts; through a staggering number of regular summer schools, winter institutes, innumerable lectures at Uppsala, Gainesville and elsewhere, and Sanibel Symposia; by founding the International Journal of Quantum Chemistry and Advances in Quantum Chemistry; and through his vision of the possible and his optimism for the future, which has inspired generations of physicists, chemists, mathematicians, and biologists to devote their lives to molecular electronic theory and dynamics, solid state, and quantum biology. Fundamental World of Quantum Chemistry: Volumes I, II and III form a collection of papers dedicated to the memory of Per-Olov Löwdin. These volumes are of interest to a broad audience of quantum, theoretical, physical, biological, and computational chemists; atomic, molecular, and condensed matter physicists; biophysicists; mathematicians working in many-body theory; and historians and philosophers of natural science. The volumes will be accessible to all levels, from students, PhD students, and postdocs to their supervisors.
Quantum Mechanics
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Author : Nouredine Zettili
language : en
Publisher: John Wiley & Sons
Release Date : 2009-02-17
Quantum Mechanics written by Nouredine Zettili and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2009-02-17 with Science categories.
Quantum Mechanics: Concepts and Applications provides a clear, balanced and modern introduction to the subject. Written with the student’s background and ability in mind the book takes an innovative approach to quantum mechanics by combining the essential elements of the theory with the practical applications: it is therefore both a textbook and a problem solving book in one self-contained volume. Carefully structured, the book starts with the experimental basis of quantum mechanics and then discusses its mathematical tools. Subsequent chapters cover the formal foundations of the subject, the exact solutions of the Schrödinger equation for one and three dimensional potentials, time-independent and time-dependent approximation methods, and finally, the theory of scattering. The text is richly illustrated throughout with many worked examples and numerous problems with step-by-step solutions designed to help the reader master the machinery of quantum mechanics. The new edition has been completely updated and a solutions manual is available on request. Suitable for senior undergradutate courses and graduate courses.
Concepts And Methods In Modern Theoretical Chemistry
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Author : Swapan Kumar Ghosh
language : en
Publisher: CRC Press
Release Date : 2019-09-23
Concepts And Methods In Modern Theoretical Chemistry written by Swapan Kumar Ghosh and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2019-09-23 with categories.
Concepts and Methods in Modern Theoretical Chemistry: Statistical Mechanics, the second book in a two-volume set, focuses on the dynamics of systems and phenomena. A new addition to the series Atoms, Molecules, and Clusters,this book offers chapters written by experts in their fields. It enables readers to learn how concepts from ab initioquantum chemistry and density functional theory (DFT) can be used to describe, understand, and predict chemical dynamics. This book covers a wide range of subjects, including discussions on the following topics: Time-dependent DFT Quantum fluid dynamics (QFD) Photodynamic control, nonlinear dynamics, and quantum hydrodynamics Molecules in a laser field, charge carrier mobility, and excitation energy transfer Mechanisms of chemical reactions Nucleation, quantum Brownian motion, and the third law of thermodynamics Transport properties of binary mixtures Although most of the chapters are written at a level that is accessible to a senior graduate student, experienced researchers will also find interesting new insights in these experts' perspectives. This book provides an invaluable resource toward understanding the whole gamut of atoms, molecules, and clusters.
Fundamental World Of Quantum Chemistry
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Author : Erkki Brändas
language : en
Publisher: Springer Science & Business Media
Release Date : 2003
Fundamental World Of Quantum Chemistry written by Erkki Brändas and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2003 with Science categories.
Per-Olov Löwdin's stature has been a symbol of the world of quantum theory during the past five decades, through his basic contributions to the development of the conceptual framework of Quantum Chemistry and introduction of the fundamental concepts; through a staggering number of regular summer schools, winter institutes, innumerable lectures at Uppsala, Gainesville and elsewhere, and Sanibel Symposia; by founding the International Journal of Quantum Chemistry and Advances in Quantum Chemistry; and through his vision of the possible and his optimism for the future, which has inspired generations of physicists, chemists, mathematicians, and biologists to devote their lives to molecular electronic theory and dynamics, solid state, and quantum biology. Fundamental World of Quantum Chemistry: Volumes I, II and III form a collection of papers dedicated to the memory of Per-Olov Löwdin. These volumes are of interest to a broad audience of quantum, theoretical, physical, biological, and computational chemists; atomic, molecular, and condensed matter physicists; biophysicists; mathematicians working in many-body theory; and historians and philosophers of natural science.
Quantum Mechanics In Chemistry
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Author : George C. Schatz
language : en
Publisher: Courier Corporation
Release Date : 2012-04-30
Quantum Mechanics In Chemistry written by George C. Schatz and has been published by Courier Corporation this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-04-30 with Science categories.
Advanced graduate-level text looks at symmetry, rotations, and angular momentum addition; occupation number representations; and scattering theory. Uses concepts to develop basic theories of chemical reaction rates. Problems and answers.
Advances In Molecular Vibrations And Collision Dynamics
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Author :
language : en
Publisher: Elsevier
Release Date : 1998-09-25
Advances In Molecular Vibrations And Collision Dynamics written by and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 1998-09-25 with Science categories.
This volume focuses on molecular clusters, bound by van der Waals interactions and hydrogen bonds. Twelve chapters review a wide range of recent theoretical and experimental advances in the areas of cluster vibrations, spectroscopy, and reaction dynamics. The authors are leading experts, who have made significant contributions to these topics.The first chapter describes exciting results and new insights in the solvent effects on the short-time photo fragmentation dynamics of small molecules, obtained by combining heteroclusters with femtosecond laser excitation. The second is on theoretical work on effects of single solvent (argon) atom on the photodissociation dynamics of the solute H2O molecule. The next two chapters cover experimental and theoretical aspects of the energetics and vibrations of small clusters. Chapter 5 describes diffusion quantum Monte Carlo calculations and non additive three-body potential terms in molecular clusters. The next six chapters deal with hydrogen-bonded clusters, reflecting the ubiquity and importance of hydrogen-bonded networks. The final chapter provides the microscopic theory of the dynamics and spectroscopy of doped helium cluster, highly quantum systems whose unusual properties have been studied extensively in the past couple of years.
Advances In Chemical Physics Volume 126
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Author : Ilya Prigogine
language : en
Publisher: John Wiley & Sons
Release Date : 2003-03-20
Advances In Chemical Physics Volume 126 written by Ilya Prigogine and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2003-03-20 with Science categories.
The latest edition of the leading forum in chemical physics Edited by Nobel Prize winner Ilya Prigogine and renowned authority Stuart A. Rice, the Advances in Chemical Physics series provides a forum for critical, authoritative evaluations in every area of the discipline. In a format that encourages the expression of individual points of view, experts in the field present comprehensive analyses of subjects of interest. Volume 126 covers a wide range of subjects, with significant, up-to-date chapters by internationally recognized researchers. The editors collect innovative papers on "Calculations of Nonlinear Optical Properties for the Solid State," "Itinerant Oscillator Models of Fluids," "Statistical Mechanics of Static and Low-Velocity Kinetic Friction," and several other related topics. Advances in Chemical Physics remains the premier venue for presentations of new findings in its field.
Propagating Insight A Tribute To The Works Of Yngve Ohrn
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Author : Erkki J. Brändas
language : en
Publisher: Academic Press
Release Date : 1999-06-21
Propagating Insight A Tribute To The Works Of Yngve Ohrn written by Erkki J. Brändas and has been published by Academic Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 1999-06-21 with Science categories.
Advances in Quantum Chemistry publishes articles and invited reviews by leading international researchers in quantum chemistry. Quantum chemistry deals particularly with the electronic structure of atoms, molecules, and crystalline matter and describes it in terms of electron wave patterns. It uses physical and chemical insight, sophisticated mathematics and high-speed computers to solve the wave equations and achieve its results. Advances highlights these important, interdisciplinary developments.