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Author: N. H. March
Publisher: Elsevier
ISBN: 1483140164
Category : Science
Languages : en
Pages : 244
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Book Description
Self-Consistent Fields in Atoms: Hartree and Thomas-Fermi atoms centers on atomic properties- energy levels, binding energies, how atoms scatter X-rays, what magnetic properties they have, and so on. This book is organized into two parts. Part I contains topics including central field wave functions and angular momentum operators; concept of self-consistent field; Thomas-Fermi atom; energies of atoms and ions; X-ray scattering and electron densities in atoms; and relativistic effects in heavy atoms. Part II discusses the wave mechanics of an atom with a non-Coulomb central field; the calculation of atomic fields; a statistical method for the determination of some atomic properties and the application of this method to the theory of the periodic system of elements; and a simplification of the Hartree-Fock method.
Author: N. H. March
Publisher: Elsevier
ISBN: 1483140164
Category : Science
Languages : en
Pages : 244
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Book Description
Self-Consistent Fields in Atoms: Hartree and Thomas-Fermi atoms centers on atomic properties- energy levels, binding energies, how atoms scatter X-rays, what magnetic properties they have, and so on. This book is organized into two parts. Part I contains topics including central field wave functions and angular momentum operators; concept of self-consistent field; Thomas-Fermi atom; energies of atoms and ions; X-ray scattering and electron densities in atoms; and relativistic effects in heavy atoms. Part II discusses the wave mechanics of an atom with a non-Coulomb central field; the calculation of atomic fields; a statistical method for the determination of some atomic properties and the application of this method to the theory of the periodic system of elements; and a simplification of the Hartree-Fock method.
Author: Mitchel Weissbluth
Publisher: Elsevier
ISBN: 032314294X
Category : Science
Languages : en
Pages : 730
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Book Description
Atoms and Molecules describes the basic properties of atoms and molecules in terms of group theoretical methods in atomic and molecular physics. The book reviews mathematical concepts related to angular momentum properties, finite and continuous rotation groups, tensor operators, the Wigner-Eckart theorem, vector fields, and vector spherical harmonics. The text also explains quantum mechanics, including symmetry considerations, second quantization, density matrices, time-dependent, and time-independent approximation methods. The book explains atomic structure, particularly the Dirac equation in which its nonrelativistic approximation provides the basis for the derivation of the Hamiltonians for all important interactions, such as spin-orbit, external fields, hyperfine. Along with multielectron atoms, the text discusses multiplet theory, the Hartree-Fock formulation, as well as the electromagnetic radiation fields, their interactions with atoms in first and higher orders. The book explores molecules and complexes, including the Born-Oppenheimer approximation, molecular orbitals, the self-consistent field method, electronic states, vibrational and rotational states, molecular spectra, and the ligand field theory. The book can prove useful for graduate or advanced students and academicians in the field of general and applied physics.
Author: Colm T. Whelan
Publisher: Morgan & Claypool Publishers
ISBN: 1681748800
Category : Science
Languages : en
Pages : 88
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Book Description
A knowledge of atomic theory should be an essential part of every physicist's and chemist's toolkit. This book provides an introduction to the basic ideas that govern our understanding of microscopic matter, and the essential features of atomic structure and spectra are presented in a direct and easily accessible manner. Semi-classical ideas are reviewed and an introduction to the quantum mechanics of one and two electron systems and their interaction with external electromagnetic fields is featured. Multielectron atoms are also introduced, and the key methods for calculating their properties reviewed.
Author: Boris M. Smirnov
Publisher: Springer Science & Business Media
ISBN: 0387217304
Category : Science
Languages : en
Pages : 451
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Book Description
Intended for advanced students of physics, chemistry and related disciplines, this text treats the quantum theory of atoms and ions within the framework of self-consistent fields. Data needed for the analysis of collisions and other atomic processes are also included.
Author: V.P. Gupta
Publisher: Academic Press
ISBN: 0128035013
Category : Science
Languages : en
Pages : 480
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Book Description
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
Author: Andreas Klamt
Publisher: Elsevier
ISBN: 0080455530
Category : Technology & Engineering
Languages : en
Pages : 247
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Book Description
The COSMO-RS technique is a novel method for predicting the thermodynamic properties of pure and mixed fluids which are important in many areas, ranging from chemical engineering to drug design. COSMO-RS, From Quantum Chemistry to Fluid Phase Thermodynamics and Drug Design is about this novel technology, which has recently proven to be the most reliable and efficient tool for the prediction of vapour-liquid equilibria. In contrast to group contribution methods, which depend on an extremely large number of experimental data, COSMO-RS calculates the thermodynamic data from molecular surface polarity distributions, resulting from quantum chemical calculations of the individual compounds in the mixture. In this book, the author cleverly combines a vivid overview of the partly demanding theoretical steps with a deeper analysis of their scientific background and justification. Aimed at theoretical chemists, computational chemists, physical chemists, chemical engineers, thermodynamicists as well as students,academic and industrial experts, COSMO-RS, From Quantum Chemistry to Fluid Phase Thermodynamics and Drug Design provides a novel viewpoint to anyone looking to gain more insight into the theory and potential of the unique method, COSMO-RS. - The only book currently available on COSMO-RS technique - Provides a novel viewpoint for the scientific understanding and for the practical quantitative treatment of fluid phase thermodynamics - Includes illustrative examples of the COSMOtherm program
Author: James F. Lea Jr.
Publisher: Gulf Professional Publishing
ISBN: 0080569404
Category : Technology & Engineering
Languages : en
Pages : 605
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Book Description
Liquid loading can reduce production and shorten the lifecycle of a well costing a company millions in revenue. A handy guide on the latest techniques, equipment, and chemicals used in de-watering gas wells, Gas Well Deliquification, 2nd Edition continues to be the engineer's choice for recognizing and minimizing the effects of liquid loading. The 2nd Edition serves as a guide discussing the most frequently used methods and tools used to diagnose liquid loading problems and reduce the detrimental effects of liquid loading on gas production. With new extensive chapters on Coal Bed Methane and Production this is the essential reference for operating engineers, reservoir engineers, consulting engineers and service companies who supply gas well equipment. It provides managers with a comprehensive look into the methods of successful Production Automation as well as tools for the profitable use, production and supervision of coal bed gases. - Turnkey solutions for the problems of liquid loading interference - Based on decades of practical, easy to use methods of de-watering gas wells - Expands on the 1st edition's useful reference with new methods for utilizing Production Automation and managing Coal Bed Methane
Author: Viacheslav V. Spichak
Publisher: Elsevier
ISBN: 0080466869
Category : Science
Languages : en
Pages : 405
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Book Description
Based on lectures given in the First Russian School-Seminar on electromagnetic soundings of the Earth held in Moscow on 15th November, 2003, this book acquaints scientists and technologists with the latest achievements in theory, techniques and practical applications of the methods of electromagnetic sounding. This three part text covers the methods considered for Earth electromagnetic sounding on a global, regional, and local scale; modern methods for solving forward and inverse problems of geoelectrics, particularily contemporary approaches to the EM data modeling and interpretation in the class of three-dimensional models; and the results of regional EM on-land and sea soundings*Presents theoretical and methodological findings, as well as examples of applications of recently developed algorithms and software in solving practical problems *Describes the practical importance of electromagnetic data through enabling discussions on a construction of a closed technological cycle, processing, analysis and three-dimensional interpretation*Updates current findings in the field, especially with MT, magnetovariational and seismo-electriccal methods and the practice of 3D interpretaions
Author: Attila Szabo
Publisher: Courier Corporation
ISBN: 0486134598
Category : Science
Languages : en
Pages : 484
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Book Description
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.
Author: Ahmed A. Hasanein
Publisher: World Scientific
ISBN: 9789810226114
Category : Science
Languages : en
Pages : 264
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Book Description
An account, from first principles, of the methods of numerical quantum mechanics. Coverage encompasses formulations and fundamental postulates; the Hamiltonian and angular momentum operators; and approximation of the solutions of the Schroedinger equation
