Variational Principles and Methods in Theoretical Physics and Chemistry
Variational Principles and Methods in Theoretical Physics and Chemistry

Author: Robert K. Nesbet

Publisher: Cambridge University Press

Published: 2002-11-14

Total Pages: 245

ISBN-13: 1139435698

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This book brings together the essential ideas and methods behind applications of variational theory in theoretical physics and chemistry. The emphasis is on understanding physical and computational applications of variational methodology rather than on rigorous mathematical formalism. The text begins with an historical survey of familiar variational principles in classical mechanics and optimization theory, then proceeds to develop the variational principles and formalism behind current computational methodology for bound and continuum quantum states of interacting electrons in atoms, molecules, and condensed matter. It covers multiple-scattering theory, including a detailed presentation of contemporary methodology for electron-impact rotational and vibrational excitation of molecules. The book ends with an introduction to the variational theory of relativistic fields. Ideal for graduate students and researchers in any field that uses variational methodology, this book is particularly suitable as a backup reference for lecture courses in mathematical methods in physics and theoretical chemistry.

Variational Principles in Classical Mechanics
Variational Principles in Classical Mechanics

Author: Douglas Cline

Publisher:

Published: 2018-08

Total Pages:

ISBN-13: 9780998837277

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Two dramatically different philosophical approaches to classical mechanics were proposed during the 17th - 18th centuries. Newton developed his vectorial formulation that uses time-dependent differential equations of motion to relate vector observables like force and rate of change of momentum. Euler, Lagrange, Hamilton, and Jacobi, developed powerful alternative variational formulations based on the assumption that nature follows the principle of least action. These variational formulations now play a pivotal role in science and engineering.This book introduces variational principles and their application to classical mechanics. The relative merits of the intuitive Newtonian vectorial formulation, and the more powerful variational formulations are compared. Applications to a wide variety of topics illustrate the intellectual beauty, remarkable power, and broad scope provided by use of variational principles in physics.The second edition adds discussion of the use of variational principles applied to the following topics:(1) Systems subject to initial boundary conditions(2) The hierarchy of related formulations based on action, Lagrangian, Hamiltonian, and equations of motion, to systems that involve symmetries.(3) Non-conservative systems.(4) Variable-mass systems.(5) The General Theory of Relativity.Douglas Cline is a Professor of Physics in the Department of Physics and Astronomy, University of Rochester, Rochester, New York.

Introduction To The Quantum World Of Atoms And Molecules
Introduction To The Quantum World Of Atoms And Molecules

Author: Jens Peder Dahl

Publisher: World Scientific Publishing Company

Published: 2001-06-15

Total Pages: 476

ISBN-13: 9813102578

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This invaluable book provides a balanced and integrated introduction to the quantum world of atoms and molecules. The underlying basis of quantum mechanics is carefully developed, with respect for the historical tradition and from a molecular angle. The fundamental concepts in the theory of atomic and molecular structure are thoroughly discussed, as are the central techniques needed in quantum-chemical applications. Special attention is paid to exposing and clarifying the common ground of Hartree-Fock theory and density-functional theory. Throughout the text, the discussion is pedagogically obliging and aims at simplicity and mathematical clarity, while avoiding the use of advanced mathematics. End-of-chapter problems supplement the main text.

Introduction to Quantum Mechanics with Applications to Chemistry
Introduction to Quantum Mechanics with Applications to Chemistry

Author: Linus Pauling

Publisher: Courier Corporation

Published: 2012-06-08

Total Pages: 500

ISBN-13: 0486134938

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Classic undergraduate text explores wave functions for the hydrogen atom, perturbation theory, the Pauli exclusion principle, and the structure of simple and complex molecules. Numerous tables and figures.

Basic Physics Of Radiotracers
Basic Physics Of Radiotracers

Author: W. Earl Barnes

Publisher: CRC Press

Published: 2017-09-29

Total Pages: 190

ISBN-13: 1351368990

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The opportunity to present the physics of radioactive processes in some detail apart from topics such as instrumentation which conventionally compete with it for spacer is most welcome. The material is intended to give a fairly complete introduction to radiation physics to those who which to have more than a descriptive understanding of the subject. Although it is possible to work one’s way through much of the subject matter without having any previous physics background, some prior acquaintance with modern physics is desirable. A familiarity with calculus and differential equations is also assumed. Volume I begins with a brief description of classical physics, it’s extension to special relativity and quantum mechanics, and an introduction to basic atomic and nuclear concepts. A thorough discussion of atomic structure follows with emphasis on the theory of the multielectron atom, characteristic X-rays, and the Auger effect. Volume II treats the subjects of nuclear structure, nuclear decay processes, the interaction of radiation with matter, and the mathematics of radioactive decay.

An Introduction to Quantum Theory
An Introduction to Quantum Theory

Author: Frank S. Levin

Publisher: Cambridge University Press

Published: 2002

Total Pages: 812

ISBN-13: 9780521598415

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An undergraduate introductory quantum mechanics textbook with a large number of figures and exercises.

Principles and Applications of Quantum Chemistry
Principles and Applications of Quantum Chemistry

Author: V.P. Gupta

Publisher: Academic Press

Published: 2015-10-15

Total Pages: 480

ISBN-13: 0128035013

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Principles and Applications of Quantum Chemistry offers clear and simple coverage based on the author's extensive teaching at advanced universities around the globe. Where needed, derivations are detailed in an easy-to-follow manner so that you will understand the physical and mathematical aspects of quantum chemistry and molecular electronic structure. Building on this foundation, this book then explores applications, using illustrative examples to demonstrate the use of quantum chemical tools in research problems. Each chapter also uses innovative problems and bibliographic references to guide you, and throughout the book chapters cover important advances in the field including: Density functional theory (DFT) and time-dependent DFT (TD-DFT), characterization of chemical reactions, prediction of molecular geometry, molecular electrostatic potential, and quantum theory of atoms in molecules. - Simplified mathematical content and derivations for reader understanding - Useful overview of advances in the field such as Density Functional Theory (DFT) and Time-Dependent DFT (TD-DFT) - Accessible level for students and researchers interested in the use of quantum chemistry tools