Quantum Mechanics Of Molecular Rate Processes PDF Download
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Author | : Raphael D. Levine |
Publisher | : Courier Corporation |
Total Pages | : 351 |
Release | : 2011-11-30 |
Genre | : Science |
ISBN | : 048615064X |
Download Quantum Mechanics of Molecular Rate Processes Book in PDF, ePub and Kindle
This survey of applications of the theory of collisions and rate processes to molecular problems explores collisions of molecules with internal structure, generalized Ehrenfest theorem, theory of reactive collisions, and role of symmetry. It also reviews partitioning technique, equivalent potentials and quasibound states, theory of direct reactions, more. 1969 edition.
Author | : Peter W. Atkins |
Publisher | : Oxford University Press |
Total Pages | : 552 |
Release | : 2011 |
Genre | : Science |
ISBN | : 0199541426 |
Download Molecular Quantum Mechanics Book in PDF, ePub and Kindle
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.
Author | : R. McWeeny |
Publisher | : |
Total Pages | : 318 |
Release | : 1969 |
Genre | : Science |
ISBN | : |
Download Methods of Molecular Quantum Mechanics Book in PDF, ePub and Kindle
The last twenty years have seen remarkable advances in molecular quantum mechanics. The traditional methods expounded in the first successful edition of this book have been implemented on a grand scale. In the Second Edition, McWeeny has completely revised the text and has added a wealth of new material and example problems. Key Features * Self-contained development of modern quantum theory of molecular electronic structure and properties * Assumes only an elementary quantum mechanics background * Mathematical methods (vector spaces, representations, group theory, etc.) built up as required * Latest advances (use of second quantization, unitary group, propagators all developed assuming no previous knowledge)
Author | : R. McWeeny |
Publisher | : |
Total Pages | : 598 |
Release | : 1989 |
Genre | : Science |
ISBN | : |
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Since this book was first published 20 years ago, there have been remarkable advances in molecular quantum mechanics. The traditional methods expounded in the first edition have been absorbed into thegrowing field of "computational chemistry": but the whole fabric of the subject has also changed under the impact of techniques originating in theoretical physics. Consequently, besides rewriting much of the original text, it has been necessary to add an almost equal amount of completely new material: this covers second quantization and diagrammatic perturbation theory,symmetric and unitary group methods, new forms of valence bond theory, dynamic properties and response, propagator and equation-of-motiontechniques and the theory of intermolecular forces. Problems (withhints on solutions) appear at the end of each chapter and form a valuable supplement to the text. Like the first edition, this is a "teaching book" which follows a deductive step-by-step path from basic principles up to the current frontiers of research. Although aimed primarily at graduate students and their teachers, it should be standard reference for all who come in contact with modern theories of the electronic structure and properties of molecules. The last twenty years have seen remarkable advances in molecular quantum mechanics. The traditional methods expounded in the first successful edition of this book have been implemented on a grand scale. In the Second Edition, Mcweeny has completly revised the text and has added a wealth of new material and example problems.
Author | : John R. Sabin |
Publisher | : |
Total Pages | : 416 |
Release | : 2010 |
Genre | : Science |
ISBN | : 9780123808981 |
Download Combining Quantum Mechanics and Molecular Mechanics Book in PDF, ePub and Kindle
Advances in Quantum Chemistry presents surveys of current developments in this rapidly developing field. With invited reviews written by leading international researchers, each presenting new results, it provides a single vehicle for following progress in this interdisciplinary area. * Publishes articles, invited reviews and proceedings of major international conferences and workshops * Written by leading international researchers in quantum and theoretical chemistry * Highlights important interdisciplinary developments
Author | : John R. Sabin |
Publisher | : Academic Press |
Total Pages | : 501 |
Release | : 2011-09-06 |
Genre | : Science |
ISBN | : 0080878059 |
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Approx.500 pages Approx.500 pages
Author | : Warren J. Hehre |
Publisher | : |
Total Pages | : 796 |
Release | : 2003 |
Genre | : Molecular orbitals |
ISBN | : 9781890661182 |
Download A Guide to Molecular Mechanics and Quantum Chemical Calculations Book in PDF, ePub and Kindle
Author | : Poul Joergensen |
Publisher | : Elsevier |
Total Pages | : 185 |
Release | : 2012-12-02 |
Genre | : Science |
ISBN | : 0323141099 |
Download Second Quantization-Based Methods in Quantum Chemistry Book in PDF, ePub and Kindle
Second Quantization-Based Methods in Quantum Chemistry presents several modern quantum chemical tools that are being applied to electronic states of atoms and molecules. Organized into six chapters, the book emphasizes the quantum chemical methods whose developments and implementations have been presented in the language of second quantization. The opening chapter of the book examines the representation of the electronic Hamiltonian, other quantum-mechanical operators, and state vectors in the second-quantization language. This chapter also describes the unitary transformations among orthonormal orbitals in an especially convenient manner. In subsequent chapters, various tools of second quantization are used to describe many approximation techniques, such as Hartree-Fock, perturbation theory, configuration interaction, multiconfigurational Hartree-Fock, cluster methods, and Green’s function. This book is an invaluable source for researchers in quantum chemistry and for graduate-level students who have already taken introductory courses that cover the fundamentals of quantum mechanics through the Hartree-Fock method as applied to atoms and molecules.
Author | : Leticia González |
Publisher | : John Wiley & Sons |
Total Pages | : 52 |
Release | : 2021-02-01 |
Genre | : Science |
ISBN | : 1119417759 |
Download Quantum Chemistry and Dynamics of Excited States Book in PDF, ePub and Kindle
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.
Author | : Errol G. Lewars |
Publisher | : Springer Science & Business Media |
Total Pages | : 474 |
Release | : 2007-05-08 |
Genre | : Science |
ISBN | : 0306483912 |
Download Computational Chemistry Book in PDF, ePub and Kindle
Computational chemistry has become extremely important in the last decade, being widely used in academic and industrial research. Yet there have been few books designed to teach the subject to nonspecialists. Computational Chemistry: Introduction to the Theory and Applications of Molecular and Quantum Mechanics is an invaluable tool for teaching and researchers alike. The book provides an overview of the field, explains the basic underlying theory at a meaningful level that is not beyond beginners, and it gives numerous comparisons of different methods with one another and with experiment. The following concepts are illustrated and their possibilities and limitations are given: - potential energy surfaces; - simple and extended Hückel methods; - ab initio, AM1 and related semiempirical methods; - density functional theory (DFT). Topics are placed in a historical context, adding interest to them and removing much of their apparently arbitrary aspect. The large number of references, to all significant topics mentioned, should make this book useful not only to undergraduates but also to graduate students and academic and industrial researchers.