Computational Atomic Structure

Computational Atomic Structure
Title Computational Atomic Structure PDF eBook
Author Charlotte Froese-Fischer
Publisher CRC Press
Pages 298
Release 1997-01-01
Genre Science
ISBN 9780750303743

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Computational Atomic Structure: An MCHF Approach deals with the field of computational atomic structure, specifically with the multiconfiguration Hartree-Fock (MCHF) approach and the manner in which this approach is used in modern physics. Beginning with an introduction to computational algorithms and procedures for atomic physics, the book describes the theory underlying nonrelativistic atomic structure calculations (making use of Brett-Pauli corrections for relativistic effects) and details how the MCHF atomic structure software package can be used to this end. The book concludes with a treatment of atomic properties, such as energy levels, electron affinities, transition probabilities, specific mass shift, fine structure, hyperfine-structure, and autoionization. This modern, reliable exposition of atomic structure theory proves invaluable to anyone looking to make use of the authors' MCHF atomic structure software package, which is available publicly via the Internet.

Computational Atomic Structure

Computational Atomic Structure
Title Computational Atomic Structure PDF eBook
Author Charlotte Froese-Fischer
Publisher Routledge
Pages 298
Release 2019-07-15
Genre Science
ISBN 1351458957

Download Computational Atomic Structure Book in PDF, Epub and Kindle

Computational Atomic Structure: An MCHF Approach deals with the field of computational atomic structure, specifically with the multiconfiguration Hartree-Fock (MCHF) approach and the manner in which this approach is used in modern physics. Beginning with an introduction to computational algorithms and procedures for atomic physics, the book describes the theory underlying nonrelativistic atomic structure calculations (making use of Brett-Pauli corrections for relativistic effects) and details how the MCHF atomic structure software package can be used to this end. The book concludes with a treatment of atomic properties, such as energy levels, electron affinities, transition probabilities, specific mass shift, fine structure, hyperfine-structure, and autoionization. This modern, reliable exposition of atomic structure theory proves invaluable to anyone looking to make use of the authors' MCHF atomic structure software package, which is available publicly via the Internet.

Computational Atomic Physics

Computational Atomic Physics
Title Computational Atomic Physics PDF eBook
Author Klaus Bartschat
Publisher Springer
Pages 264
Release 2013-06-29
Genre Science
ISBN 3642610102

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Computational Atomic Physics deals with computational methods for calculating electron (and positron) scattering from atoms and ions, including elastic scattering, excitation, and ionization processes. Each chapter is divided into abstract, theory, computer program with sample input and output, summary, suggested problems, and references. An MS-DOS diskette is included, which holds 11 programs covering the features of each chapter and therefore contributing to a deeper understanding of the field. Thus the book provides a unique practical application of advanced quantum mechanics.

Computational Nuclear Physics 1

Computational Nuclear Physics 1
Title Computational Nuclear Physics 1 PDF eBook
Author K. Langanke
Publisher Springer Science & Business Media
Pages 220
Release 2013-11-22
Genre Science
ISBN 3642763561

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A variety of standard problems in theoretical nuclear-structure physics is addressed by the well-documented computer codes presented in this book. Most of these codes were available up to now only through personal contact. The subject matter ranges from microscopic models (the shell, Skyrme-Hartree-Fock, and cranked Nilsson models) through collective excitations (RPA, IBA, and geometric model) to the relativistic impulse approximation, three-body calculations, variational Monte Carlo methods, and electron scattering. The 5 1/4'' high-density floppy disk that comes with the book contains the FORTRAN codes of the problems that are tackled in each of the ten chapters. In the text, the precise theoretical foundations and motivations of each model or method are discussed together with the numerical methods employed. Instructions for the use of each code, and how to adapt them to local compilers and/or operating systems if necessary, are included.

Atomic Structure Theory

Atomic Structure Theory
Title Atomic Structure Theory PDF eBook
Author Walter R. Johnson
Publisher Springer Science & Business Media
Pages 318
Release 2007-03-08
Genre Science
ISBN 3540680136

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This book provides a hands-on experience with atomic structure calculations. Material covered includes angular momentum methods, the central field Schrödinger and Dirac equations, Hartree-Fock and Dirac-Hartree-Fock equations, multiplet structure, hyperfine structure, the isotope shift, dipole and multipole transitions, basic many-body perturbation theory, configuration interaction, and correlation corrections to matrix elements. The book also contains numerical methods for solving the Schrödinger and Dirac eigenvalue problems and the (Dirac)-Hartree-Fock equations.

Relativistic Quantum Theory of Atoms and Molecules

Relativistic Quantum Theory of Atoms and Molecules
Title Relativistic Quantum Theory of Atoms and Molecules PDF eBook
Author Ian P Grant
Publisher Springer Science & Business Media
Pages 813
Release 2007-04-15
Genre Science
ISBN 0387350691

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This book is intended for physicists and chemists who need to understand the theory of atomic and molecular structure and processes, and who wish to apply the theory to practical problems. As far as practicable, the book provides a self-contained account of the theory of relativistic atomic and molecular structure, based on the accepted formalism of bound-state Quantum Electrodynamics. The author was elected a Fellow of the Royal Society of London in 1992.

Methods in Computational Molecular Physics

Methods in Computational Molecular Physics
Title Methods in Computational Molecular Physics PDF eBook
Author Geerd H.F. Diercksen
Publisher Springer Science & Business Media
Pages 367
Release 2012-12-06
Genre Science
ISBN 9400972008

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This NATO Advanced Study Institute was concerned with modern ab initio methods for the determination of the electronic structure of molecules. Recent years have seen considerable progress in computer technology and computer science and these developments have had a very significant influence on computational molecular physics. Progress in computer technology has led to increasingly larger and faster systems as well as powerful minicomputers. Simultaneous research in computer science has explored new methods for the optimal use of these resources. To a large extent develop ments in computer technology, computer science and computational molecular physics have been mutually dependent. The availability of new computational resources, particularly minicomputers and, more recently, vector processors, has stimulat'ed a great deal of research in molecular physics. Well established techniques have been reformulated to make more efficient use of the new computer technology and algorithms which were previously computationally intractable have now been successfully implemented. This research has given a new and exciting insight into molecular structure and molecular processes by enabling smaller systems to be studied in greater detail and larger systems to be studied for the first time.