Download or read book Computational Atomic Structure written by Charlotte Froese-Fischer and published by Routledge. This book was released on 2022-02-14 with total page 280 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Computational Atomic Structure written by Charlotte Froese-fischer and published by Routledge. This book was released on 2019-08-30 with total page 244 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Computational Atomic Physics written by Klaus Bartschat and published by Springer. This book was released on 2013-06-29 with total page 264 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Computational Atomic Structure written by Charlotte Froese-Fischer and published by Routledge. This book was released on 2019-07-15 with total page 236 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Computational Atomic Physics written by Klaus Bartschat and published by Springer. This book was released on 2014-10-03 with total page 249 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Computational Nuclear Physics 1 written by K. Langanke and published by Springer Science & Business Media. This book was released on 2013-11-22 with total page 220 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Atomic Structure Theory written by Walter R. Johnson and published by Springer Science & Business Media. This book was released on 2007-03-08 with total page 318 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Advances in the Theory of Atomic and Molecular Systems written by Piotr Piecuch and published by Springer Science & Business Media. This book was released on 2009-09-30 with total page 447 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in the Theory of Atomic and Molecular Systems, is a collection of contributions presenting recent theoretical and computational developments that provide new insights into the structure, properties, and behavior of a variety of atomic and molecular systems. This volume (subtitled: Conceptual and Computational Advances in Quantum Chemistry) focuses on electronic structure theory and its foundations. This volume is an invaluable resource for faculty, graduate students, and researchers interested in theoretical and computational chemistry and physics, physical chemistry and chemical physics, molecular spectroscopy, and related areas of science and engineering.
Download or read book Computational Atomic Structure written by and published by . This book was released on 2020 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Computational Quantum Chemistry written by Joseph J W McDouall and published by Royal Society of Chemistry. This book was released on 2015-11-09 with total page 252 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational Quantum Chemistry presents computational electronic structure theory as practised in terms of ab initio waveform methods and density functional approaches. Getting a full grasp of the field can often prove difficult, since essential topics fall outside of the scope of conventional chemistry education. This professional reference book provides a comprehensive introduction to the field. Postgraduate students and experienced researchers alike will appreciate Joseph McDouall's engaging writing style. The book is divided into five chapters, each providing a major aspect of the field. Electronic structure methods, the computation of molecular properties, methods for analysing the output from computations and the importance of relativistic effects on molecular properties are also discussed. Links to the websites of widely used software packages are provided so that the reader can gain first hand experience of using the techniques described in the book.
Download or read book Relativistic Quantum Theory of Atoms and Molecules written by Ian P Grant and published by Springer Science & Business Media. This book was released on 2007-04-15 with total page 813 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Computational Atomic Structure and Search for New Physics written by Heman Gharibnejad and published by . This book was released on 2014 with total page 268 pages. Available in PDF, EPUB and Kindle. Book excerpt: The overarching goal of this dissertation is to examine constraints on extensions to the Standard Model (SM) through atomic-structure computations. More specifically, atomic parity-nonconserving (PNC) amplitudes and intrinsic electric dipole moments (EDM) are examined for sources of physics beyond the SM. Precision calculations of these properties in the trivalent thallium atom, will help set new constraints on searches beyond the SM. To this end, the first half of the dissertation is devoted to improving atomic structure calculations. In particular, we numerically investigate the effectiveness of two convergence methods for coupled-cluster (CC) method. Further we explore the feasibility of transferring high-precision CC methods, developed for monovalent atoms, to trivalent systems. Here we showcase calculations of various properties of the trivalent atomic boron as a prototype for future precision computations for thallium. In the second half of the dissertation, we consider "dark force" extensions to the SM. We introduce "dark forces" by considering the parity-odd as well as simultaneous parity-and time-reversal-violating interactions between atomic electrons and nucleons. Here we hypothesize the exchange of a "dark sector" light gauge-boson particle between atomic electrons and nucleons, as the source of the "dark force". Furthermore, using the latest experimental upper limits on mercury EDM and error bars on the cesium PNC experiments, we place constraints on the coupling strengths of such "dark forces" with ordinary matter.
Download or read book Computational Atomic And Nuclear Physics Proceedings Of The Summer School written by C Bottcher and published by World Scientific. This book was released on 1990-07-05 with total page 426 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational power available to scientific researchers is increasing at such a rate in recent years that totally new numerical approaches to forefront problems are playing an increasingly important role in modern physics research. At the Summer School, current topics in atomic and nuclear physics where such computational approaches may be most fruitful were discussed by an internationally distinguished faculty. Major topics discussed included Ultra-relativistic Heavy Ion Collisions, the importance of sub-nucleon degrees of freedom to nuclear physics, the importance of electromagnetic processes in collisions of high-energy highly charged ions, relativistic effects in atomic and nuclear structure, current topics in quantum chemistry, modern Monte Carlo techniques, path integral methods, and applications of static and time-dependent Hartree-Fock methods in atomic and nuclear physics.
Download or read book Methods in Computational Molecular Physics written by Geerd H.F. Diercksen and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 367 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Computational Atomic Structures Toward Heavy Element Research written by Sacha Schiffmann and published by . This book was released on 2021 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Electronic Structure Calculations for Solids and Molecules written by Jorge Kohanoff and published by Cambridge University Press. This book was released on 2006-06-29 with total page 372 pages. Available in PDF, EPUB and Kindle. Book excerpt: Electronic structure problems are studied in condensed matter physics and theoretical chemistry to provide important insights into the properties of matter. This 2006 graduate textbook describes the main theoretical approaches and computational techniques, from the simplest approximations to the most sophisticated methods. It starts with a detailed description of the various theoretical approaches to calculating the electronic structure of solids and molecules, including density-functional theory and chemical methods based on Hartree-Fock theory. The basic approximations are thoroughly discussed, and an in-depth overview of recent advances and alternative approaches in DFT is given. The second part discusses the different practical methods used to solve the electronic structure problem computationally, for both DFT and Hartree-Fock approaches. Adopting a unique and open approach, this textbook is aimed at graduate students in physics and chemistry, and is intended to improve communication between these communities. It also serves as a reference for researchers entering the field.
Download or read book Atomic Structure written by Edward Uhler Condon and published by CUP Archive. This book was released on 1980-05-30 with total page 684 pages. Available in PDF, EPUB and Kindle. Book excerpt: The late Professor Condon and Halis Odabşi collaborate to produce an integrated account of the electron structure of atoms.
