Author: Frank E. Harris Publisher: Courier Dover Publications ISBN: 0486837211 Category : Psychology Languages : en Pages : 418
Book Description
This text on the use of electron correlation effects in the description of the electronic structure of atoms, molecules, and crystals is intended for graduate students in physical chemistry and physics. Modern theories of electronic structure and methods of incorporating electron correlation contributions are developed using a diagrammatic and algebraic formulation, and the methods developed in the text are illustrated with examples from molecular and solid state quantum mechanics. A brief Introduction is followed by chapters on operator algebra, the independent-particle model, occupation-number formalism, and diagrams. Additional topics include the configuration-interaction method, the many-body perturbation theory, and the coupled-cluster method.
Author: Stephen Wilson Publisher: Springer Science & Business Media ISBN: 9048133734 Category : Science Languages : en Pages : 235
Book Description
Brillouin-Wigner Methods for Many-Body Systems gives an introduction to many-body methods in electronic structure theory for the graduate student and post-doctoral researcher. It provides researchers in many-body physics and theoretical chemistry with an account of Brillouin-Wigner methodology as it has been developed in recent years to handle the multireference correlation problem. Moreover, the frontiers of this research field are defined. This volume is of interest to atomic and molecular physicists, physical chemists and chemical physicists, quantum chemists and condensed matter theorists, computational chemists and applied mathematicians.
Author: Rajat Kumar Chaudhuri Publisher: CRC Press ISBN: 1315356333 Category : Science Languages : en Pages : 161
Book Description
Brings Readers from the Threshold to the Frontier of Modern Research Many-Body Methods for Atoms and Molecules addresses two major classes of theories of electron correlation: the many-body perturbation theory and coupled cluster methods. It discusses the issues related to the formal development and consequent numerical implementation of the methods from the standpoint of a practicing theoretician. The book will enable readers to understand the future development of state-of-the-art multi-reference coupled cluster methods as well as their perturbative counterparts. The book begins with an introduction to the issues relevant to the development of correlated methods in general. It next gives a formally rigorous treatment of aspects that pave the foundation toward the theoretical development of methods capable of tackling problems of electronic correlation. The authors go on to cover perturbation theory first in a fundamental way and then in the multi-reference context. They also describe the idea of state-specific theories, Fock space-based multi-reference coupled cluster methods, and basic issues of the single-reference coupled cluster method. The book concludes with state-of-the-art methods of modern electronic structure.
Author: J. P. Draayer Publisher: World Scientific ISBN: 9812703020 Category : Science Languages : en Pages : 285
Book Description
The symposium OC Computational and Group-Theoretical Methods in Nuclear PhysicsOCO was organized to celebrate the 60th birthday of Jerry P Draayer, who is Professor of Physics, Lousiana State University, and President of the Southeastern Universities Research Association (SURA). The focus of the meeting was on computational and algebraic approaches to the nuclear many-body problem. The presentations highlighted recent experimental and theoretical developments in nuclear structure physics. The proceedings have been selected for coverage in: . OCo Index to Scientific & Technical Proceedings- (ISTP- / ISI Proceedings). OCo Index to Scientific & Technical Proceedings (ISTP CDROM version / ISI Proceedings). OCo CC Proceedings OCo Engineering & Physical Sciences."
Author: Kenny B. Lipkowitz Publisher: John Wiley & Sons ISBN: 0470126183 Category : Science Languages : en Pages : 560
Book Description
THIS VOLUME, WHICH IS DESIGNED FOR STAND-ALONE USE IN TEACHING AND RESEARCH, FOCUSES ON QUANTUM CHEMISTRY, AN AREA OF SCIENCE THAT MANY CONSIDER TO BE THE CENTRAL CORE OF COMPUTATIONAL CHEMISTRY. TUTORIALS AND REVIEWS COVER * HOW TO OBTAIN SIMPLE CHEMICAL INSIGHT AND CONCEPTS FROM DENSITY FUNCTIONAL THEORY CALCULATIONS, * HOW TO MODEL PHOTOCHEMICAL REACTIONS AND EXCITED STATES, AND * HOW TO COMPUTE ENTHALPIES OF FORMATION OF MOLECULES. * A FOURTH CHAPTER TRACES CANADIAN RESEARCH IN THE EVOLUTION OF COMPUTATIONAL CHEMISTRY. * ALSO INCLUDED WITH THIS VOLUME IS A SPECIAL TRIBUTE TO QCPE. FROM REVIEWS OF THE SERIES "Reviews in Computational Chemistry proves itself an invaluable resource to the computational chemist. This series has a place in every computational chemist's library."-JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
Author: Gordon W. F. Drake Publisher: Springer Science & Business Media ISBN: 038726308X Category : Science Languages : en Pages : 1505
Book Description
Comprises a comprehensive reference source that unifies the entire fields of atomic molecular and optical (AMO) physics, assembling the principal ideas, techniques and results of the field. 92 chapters written by about 120 authors present the principal ideas, techniques and results of the field, together with a guide to the primary research literature (carefully edited to ensure a uniform coverage and style, with extensive cross-references). Along with a summary of key ideas, techniques, and results, many chapters offer diagrams of apparatus, graphs, and tables of data. From atomic spectroscopy to applications in comets, one finds contributions from over 100 authors, all leaders in their respective disciplines. Substantially updated and expanded since the original 1996 edition, it now contains several entirely new chapters covering current areas of great research interest that barely existed in 1996, such as Bose-Einstein condensation, quantum information, and cosmological variations of the fundamental constants. A fully-searchable CD- ROM version of the contents accompanies the handbook.
Author: Ilya Prigogine Publisher: John Wiley & Sons ISBN: 0470142227 Category : Science Languages : en Pages : 571
Book Description
This series provides the chemical physics field with a forum for critical, authoritative evaluations of advances in every area of the discipline. Volume 110 continues to report recent advances with important, up-to-date chapters contributed by internationally recognized researchers.
Author: Holger Fehske Publisher: Springer Science & Business Media ISBN: 3540746854 Category : Science Languages : en Pages : 774
Book Description
Looking for the real state of play in computational many-particle physics? Look no further. This book presents an overview of state-of-the-art numerical methods for studying interacting classical and quantum many-particle systems. A broad range of techniques and algorithms are covered, and emphasis is placed on their implementation on modern high-performance computers. This excellent book comes complete with online files and updates allowing readers to stay right up to date.
Author: Alan Hinchliffe Publisher: Royal Society of Chemistry ISBN: 1847558895 Category : Science Languages : en Pages : 486
Book Description
Chemical Modelling: Applications and Theory comprises critical literature reviews of molecular modelling, both theoretical and applied. Molecular modelling in this context refers to modelling the structure, properties and reactions of atoms, molecules & materials. Each chapter is compiled by experts in their fields and provides a selective review of recent literature. With chemical modelling covering such a wide range of subjects, this Specialist Periodical Report serves as the first port of call to any chemist, biochemist, materials scientist or molecular physicist needing to acquaint themselves of major developments in the area. Volume 5 covers literature published from June 2005 to May 2007.
Author: Publisher: Academic Press ISBN: 0128130032 Category : Science Languages : en Pages : 376
Book Description
Novel Electronic Structure Theory: General Innovations and Strongly Correlated Systems, Volume 76, the latest release in the Advances in Quantum Chemistry series presents work and reviews of current work in quantum chemistry (molecules), but also includes scattering from atoms and solid state work of interest in physics. Topics covered in this release include the Present Status of Selected Configuration Interaction with Truncation Energy Error, Recent Developments in Asymptotic Expansions from Numerical Analysis and Approximation Theory, The kinetic energy Pauli enhancement factor and its role in determining the shell structure of atoms and molecules, Numerical Hartree-Fock and Many-Body Calculations for Diatomic Molecules, and more. - Provides reports on current work in molecular and atomic quantum mechanics - Contains work reported by many of the best scientists in the field - Presents the latest release in the Advances in Quantum Chemistry series
Author: Frank E. Harris
Author: Stephen Wilson
Author: Rajat Kumar Chaudhuri
Author: J. P. Draayer
Author: Kenny B. Lipkowitz
Author: Gordon W. F. Drake
Author: Ilya Prigogine
Author: Holger Fehske
Author: Alan Hinchliffe
Author: