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OverviewThis 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. Full Product DetailsAuthor: Geerd H.F. Diercksen , Stephen WilsonPublisher: Springer Imprint: Springer Edition: Softcover reprint of the original 1st ed. 1983 Volume: 113 Dimensions: Width: 15.50cm , Height: 1.90cm , Length: 23.50cm Weight: 0.581kg ISBN: 9789400972025ISBN 10: 9400972024 Pages: 367 Publication Date: 08 December 2011 Audience: Professional and scholarly , Professional & Vocational Format: Paperback Publisher's Status: Active Availability: Manufactured on demand  We will order this item for you from a manufactured on demand supplier. Table of ContentsMolecular Integrals for Gaussian Type Functions.- On the Evaluation of Exponential (Slater) Type Integrals.- Basis Sets.- Matrix Eigenvector Methods.- Group Theory Applied to CI Methods.- The Multiconfigurational (MC) SCF Method.- The Direct CI Method.- Pair Correlation Theories.- On a Green’s Function Method for the Calculation of Ionization Spectra in the Outer and Inner Valence Region.- Introductory Polarization Propagator Theory.- Diagrammatic Many-Body Perturbation Theory.- Schrödinger Spectra.- Computers and Computation in Molecular Physics.- Participants.ReviewsAuthor InformationTab Content 6Author Website:Countries AvailableAll regions |
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