Quantum Mechanics of Molecular Rate Processes
Title | Quantum Mechanics of Molecular Rate Processes PDF eBook |
Author | Raphael D. Levine |
Publisher | Courier Corporation |
Pages | 351 |
Release | 2011-11-30 |
Genre | Science |
ISBN | 048615064X |
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.
QUANTUM MECHANICS OF MOLECULAR RATE PROCESSES.
Title | QUANTUM MECHANICS OF MOLECULAR RATE PROCESSES. PDF eBook |
Author | RD. Levine |
Publisher | |
Pages | |
Release | 1969 |
Genre | |
ISBN |
Methods of Molecular Quantum Mechanics
Title | Methods of Molecular Quantum Mechanics PDF eBook |
Author | R. McWeeny |
Publisher | |
Pages | 318 |
Release | 1969 |
Genre | Science |
ISBN |
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)
Combining Quantum Mechanics and Molecular Mechanics. Some Recent Progresses in QM/MM Methods
Title | Combining Quantum Mechanics and Molecular Mechanics. Some Recent Progresses in QM/MM Methods PDF eBook |
Author | |
Publisher | Academic Press |
Pages | 433 |
Release | 2010-06-14 |
Genre | Science |
ISBN | 0123808995 |
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
Modern Quantum Chemistry
Title | Modern Quantum Chemistry PDF eBook |
Author | Attila Szabo |
Publisher | Courier Corporation |
Pages | 484 |
Release | 2012-06-08 |
Genre | Science |
ISBN | 0486134598 |
This graduate-level text explains the modern in-depth approaches to the calculation of electronic structure and the properties of molecules. Largely self-contained, it features more than 150 exercises. 1989 edition.
Methods of Molecular Quantum Mechanics
Title | Methods of Molecular Quantum Mechanics PDF eBook |
Author | Valerio Magnasco |
Publisher | John Wiley & Sons |
Pages | 304 |
Release | 2009-12-21 |
Genre | Science |
ISBN | 0470684429 |
This advanced text introduces to the advanced undergraduate and graduate student the mathematical foundations of the methods needed to carry out practical applications in electronic molecular quantum mechanics, a necessary preliminary step before using commercial programmes to carry out quantum chemistry calculations. Major features of the book include: Consistent use of the system of atomic units, essential for simplifying all mathematical formulae Introductory use of density matrix techniques for interpreting properties of many-body systems An introduction to valence bond methods with an explanation of the origin of the chemical bond A unified presentation of basic elements of atomic and molecular interactions The book is intended for advanced undergraduate and first-year graduate students in chemical physics, theoretical and quantum chemistry. In addition, it is relevant to students from physics and from engineering sub-disciplines such as chemical engineering and materials sciences.
Methods of Molecular Quantum Mechanics
Title | Methods of Molecular Quantum Mechanics PDF eBook |
Author | R. McWeeny |
Publisher | |
Pages | 598 |
Release | 1989 |
Genre | Science |
ISBN |
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.