Download or read book Variational Principles and Methods in Theoretical Physics and Chemistry written by Robert K. Nesbet and published by Cambridge University Press. This book was released on 2002-11-14 with total page 245 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Download or read book Variational Methods in Molecular Modeling written by Jianzhong Wu and published by Springer. This book was released on 2018-07-07 with total page 324 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Download or read book The Variational Principles of Mechanics written by Kornél Lánczos and published by . This book was released on 1970 with total page 418 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Quantum Mechanics for Chemistry written by Seogjoo J. Jang and published by Springer Nature. This book was released on 2023-06-28 with total page 442 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Download or read book Introduction To The Quantum World Of Atoms And Molecules written by Jens Peder Dahl and published by World Scientific Publishing Company. This book was released on 2001-06-15 with total page 476 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Download or read book The Many Body Problem in Quantum Mechanics written by Norman Henry March and published by Courier Corporation. This book was released on 1995-01-01 with total page 482 pages. Available in PDF, EPUB and Kindle. Book excerpt: Single-volume account of methods used in dealing with the many-body problem and the resulting physics. Single-particle approximations, second quantization, many-body perturbation theory, Fermi fluids, superconductivity, many-boson systems, more. Each chapter contains well-chosen problems. Only prerequisite is basic understanding of elementary quantum mechanics. 1967 edition.

Download or read book Variational Principles in Classical Mechanics written by Douglas Cline and published by . This book was released on 2018-08 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Download or read book The variation method in quantum chemistry written by Saul Epstein and published by Elsevier. This book was released on 2012-12-02 with total page 289 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Variation Method in Quantum Chemistry is generally a description of the basic theorems and points of view of the method. Applications of these theorems are also presented through several variational procedures and concrete examples. The book contains nine concise chapters wherein the first two ones tackle the general concept of the variation method and its applications. Some chapters deal with other theorems such as the Generealized Brillouin and Hellmann-Feynman Theorems. Also covered in the discussion is the relation of the Perturbation Theory and the Variation Method. This book will be of great help to students and researchers studying quantum chemistry.

Download or read book Condensed Matter Field Theory written by Alexander Altland and published by Cambridge University Press. This book was released on 2010-03-11 with total page 785 pages. Available in PDF, EPUB and Kindle. Book excerpt: This primer is aimed at elevating graduate students of condensed matter theory to a level where they can engage in independent research. Topics covered include second quantisation, path and functional field integration, mean-field theory and collective phenomena.

Download or read book Advanced Topics in Theoretical Chemical Physics written by J. Maruani and published by Springer Science & Business Media. This book was released on 2013-11-27 with total page 528 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Download or read book Variational Methods with Applications in Science and Engineering written by Kevin W. Cassel and published by Cambridge University Press. This book was released on 2013-07-22 with total page 433 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book reflects the strong connection between calculus of variations and the applications for which variational methods form the foundation.

Download or read book Scientific and Technical Aerospace Reports written by and published by . This book was released on 1977 with total page 548 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Principles of Condensed Matter Physics written by P. M. Chaikin and published by Cambridge University Press. This book was released on 2000-09-28 with total page 724 pages. Available in PDF, EPUB and Kindle. Book excerpt: Now in paperback, this book provides an overview of the physics of condensed matter systems. Assuming a familiarity with the basics of quantum mechanics and statistical mechanics, the book establishes a general framework for describing condensed phases of matter, based on symmetries and conservation laws. It explores the role of spatial dimensionality and microscopic interactions in determining the nature of phase transitions, as well as discussing the structure and properties of materials with different symmetries. Particular attention is given to critical phenomena and renormalization group methods. The properties of liquids, liquid crystals, quasicrystals, crystalline solids, magnetically ordered systems and amorphous solids are investigated in terms of their symmetry, generalised rigidity, hydrodynamics and topological defect structure. In addition to serving as a course text, this book is an essential reference for students and researchers in physics, applied physics, chemistry, materials science and engineering, who are interested in modern condensed matter physics.

Download or read book Handbook of Computational Quantum Chemistry written by David B. Cook and published by Courier Corporation. This book was released on 2005-08-02 with total page 852 pages. Available in PDF, EPUB and Kindle. Book excerpt: This comprehensive text provides upper-level undergraduates and graduate students with an accessible introduction to the implementation of quantum ideas in molecular modeling, exploring practical applications alongside theoretical explanations. Topics include the Hartree-Fock method; matrix SCF equations; implementation of the closed-shell case; introduction to molecular integrals; and much more. 1998 edition.

Download or read book Basic Physics Of Radiotracers written by W. Earl Barnes and published by CRC Press. This book was released on 2017-09-29 with total page 190 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Download or read book An Introduction to Quantum Theory written by Frank S. Levin and published by Cambridge University Press. This book was released on 2002 with total page 812 pages. Available in PDF, EPUB and Kindle. Book excerpt: An undergraduate introductory quantum mechanics textbook with a large number of figures and exercises.

Download or read book Quantum Nanochemistry Volume One written by Mihai V. Putz and published by CRC Press. This book was released on 2016-03-30 with total page 641 pages. Available in PDF, EPUB and Kindle. Book excerpt: Volume 1 of the 5-volume Quantum Nanochemistry set presents an overall perspective of nuclear, atomic, molecular, and solids structures, and the observability and quantum properties as based on the quantum principles in their various levels of applications, from Planck, Bohr, Einstein, Schrodinger, Hartree-Fock, up to Feynman Path Integral approach