[PDF] Variational Principles And Methods In Theoretical Physics And Chemistry eBook

Author : Robert K. Nesbet
Publisher : Cambridge University Press
Page : 245 pages
File Size : 36,56 MB
Release : 2002-11-14
Category : Science
ISBN : 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.

Author : Jianzhong Wu
Publisher : Springer
Page : 324 pages
File Size : 40,59 MB
Release : 2018-07-07
Category : Science
ISBN : 9789811096327

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This book presents tutorial overviews for many applications of variational methods to molecular modeling. Topics discussed include the Gibbs-Bogoliubov-Feynman variational principle, square-gradient models, classical density functional theories, self-consistent-field theories, phase-field methods, Ginzburg-Landau and Helfrich-type phenomenological models, dynamical density functional theory, and variational Monte Carlo methods. Illustrative examples are given to facilitate understanding of the basic concepts and quantitative prediction of the properties and rich behavior of diverse many-body systems ranging from inhomogeneous fluids, electrolytes and ionic liquids in micropores, colloidal dispersions, liquid crystals, polymer blends, lipid membranes, microemulsions, magnetic materials and high-temperature superconductors. All chapters are written by leading experts in the field and illustrated with tutorial examples for their practical applications to specific subjects. With emphasis placed on physical understanding rather than on rigorous mathematical derivations, the content is accessible to graduate students and researchers in the broad areas of materials science and engineering, chemistry, chemical and biomolecular engineering, applied mathematics, condensed-matter physics, without specific training in theoretical physics or calculus of variations.

Author : Linus Pauling
Publisher : Courier Corporation
Page : 500 pages
File Size : 35,38 MB
Release : 2012-06-08
Category : Science
ISBN : 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.

Author : Robert Dautray
Publisher : Springer
Page : 604 pages
File Size : 24,79 MB
Release : 2015-03-20
Category : Mathematics
ISBN : 364261566X

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These 6 volumes - the result of a 10 year collaboration between the authors, two of France's leading scientists and both distinguished international figures - compile the mathematical knowledge required by researchers in mechanics, physics, engineering, chemistry and other branches of application of mathematics for the theoretical and numerical resolution of physical models on computers. Since the publication in 1924 of the "Methoden der mathematischen Physik" by Courant and Hilbert, there has been no other comprehensive and up-to-date publication presenting the mathematical tools needed in applications of mathematics in directly implementable form. The advent of large computers has in the meantime revolutionised methods of computation and made this gap in the literature intolerable: the objective of the present work is to fill just this gap. Many phenomena in physical mathematics may be modeled by a system of partial differential equations in distributed systems: a model here means a set of equations, which together with given boundary data and, if the phenomenon is evolving in time, initial data, defines the system. The advent of high-speed computers has made it possible for the first time to calculate values from models accurately and rapidly. Researchers and engineers thus have a crucial means of using numerical results to modify and adapt arguments and experiments along the way. Every facet of technical and industrial activity has been affected by these developments. Modeling by distributed systems now also supports work in many areas of physics (plasmas, new materials, astrophysics, geophysics), chemistry and mechanics and is finding increasing use in the life sciences.

Author : Frederick W. Byron
Publisher : Courier Corporation
Page : 674 pages
File Size : 13,31 MB
Release : 2012-04-26
Category : Science
ISBN : 0486135063

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Graduate-level text offers unified treatment of mathematics applicable to many branches of physics. Theory of vector spaces, analytic function theory, theory of integral equations, group theory, and more. Many problems. Bibliography.

Author : Seogjoo J. Jang
Publisher : Springer Nature
Page : 442 pages
File Size : 24,24 MB
Release : 2023-06-28
Category : Science
ISBN : 3031302184

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This textbook forms the basis for an advanced undergraduate or graduate level quantum chemistry course, and can also serve as a reference for researchers in physical chemistry and chemical physics. In addition to the standard core topics such as principles of quantum mechanics, vibrational and rotational states, hydrogen-like molecules, perturbation theory, variational principles, and molecular orbital theories, this book also covers essential theories of electronic structure calculation, the primary methods for calculating quantum dynamics, and major spectroscopic techniques for quantum measurement. Plus, topics that are overlooked in conventional textbooks such as path integral formulation, open system quantum dynamics methods, and Green’s function approaches are addressed. This book helps readers grasp the essential quantum mechanical principles and results that serve as the foundation of modern chemistry and become knowledgeable in major methods of computational chemistry and spectroscopic experiments being conducted by present-day researchers. Dirac notation is used throughout, and right balance between comprehensiveness, rigor, and readability is achieved, ensuring that the book remains accessible while providing all the relevant details. Complete with exercises, this book is ideal for a course on quantum chemistry or as a self-study resource.

Author : Jens Peder Dahl
Publisher : World Scientific Publishing Company
Page : 476 pages
File Size : 30,38 MB
Release : 2001-06-15
Category : Science
ISBN : 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.

Author : Douglas Cline
Publisher :
Page : pages
File Size : 26,95 MB
Release : 2018-08
Category :
ISBN : 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.

Author : J. Maruani
Publisher : Springer Science & Business Media
Page : 528 pages
File Size : 38,77 MB
Release : 2013-11-27
Category : Science
ISBN : 9401706352

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Advanced Topics in Theoretical Chemical Physics is a collection of 20 selected papers from the scientific presentations of the Fourth Congress of the International Society for Theoretical Chemical Physics (ISTCP) held at Marly-le-Roi, France, in July 2002. Advanced Topics in Theoretical Chemical Physics encompasses a broad spectrum in which scientists place special emphasis on theoretical methods in chemistry and physics. The chapters in the book are divided into five sections: I: Advances Chemical Thermodynamics II: Electronic Structure of Molecular Systems III: Molecular Interaction and Dynamics IV: Condensed Matter V: Playing with Numbers This book is an invaluable resource for all academics and researchers interested in theoretical, quantum or statistical, chemical physics or physical chemistry. It presents a selection of some of the most advanced methods, results and insights in this exciting area.