Download or read book Advanced Theories and Computational Approaches to the Electronic Structure of Molecules written by C.E. Dykstra and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 241 pages. Available in PDF, EPUB and Kindle. Book excerpt: That there have been remarkable advances in the field of molecular electronic structure during the last decade is clear not only to those working in the field but also to anyone else who has used quantum chemical results to guide their own investiga tions. The progress in calculating the electronic structures of molecules has occurred through the truly ingenious theoretical and methodological developments that have made computationally tractable the underlying physics of electron distributions around a collection of nuclei. At the same time there has been consider able benefit from the great advances in computer technology. The growing sophistication, declining costs and increasing accessibi lity of computers have let theorists apply their methods to prob lems in virtually all areas of molecular science. Consequently, each year witnesses calculations on larger molecules than in the year before and calculations with greater accuracy and more com plete information on molecular properties. We can surely anticipate continued methodological develop ments of real consequence, and we can also see that the advance in computational capability is not about to slow down. The recent introduction of array processors, mUltiple processors and vector machines has yielded a tremendous acceleration of many types of computation, including operations typically performed in quantum chemical studies. Utilizing such new computing power to the ut most has required some new ideas and some reformulations of existing methods.

Download or read book Large Scale Computation and Information Processing in Air Traffic Control written by Lucio Bianco and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 249 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume is a compendium of papers presented during an Advanced Seminar on Air Traffic Control (ATC) that took place in Capri, Italy on October 28-31, 1991. The Seminar was' organized by the Progetto Finalizzato Trasporti of the Italian National Research Council. The papers presented in the Seminar dealt with a wide range of topics which are currently important in ATC. For example, there were papers on such subjects as recent developments in primary and secondary radar technologies, communications networks and protocols, and the future uses of satellite-based communications, navigation and surveillance in ATC. However, all the papers contained in the volume were selected exclusively from that set of papers that addressed some aspect of the main area of emphasis in the Seminar, namely massive data-processing requirements and computer intensive problems in ATC. Data-processing requirements in A TC have grown enormously over the years. Obviously, the rapid increase in air traffic volumes in most of the world is one of the factors that has contributed to this growth. However, two other developments have contributed much more significantly: first, the ATC system now collects (mostly automatically) immensely more "information per flight" than in the past; and, second, as the system's complexity increases and as it becomes more tightly interconnected geographically, so grows the need to communicate, process and "filter" the data presented to the system's various components.

Download or read book Parallel Computations written by Garry Rodrigue and published by Elsevier. This book was released on 2014-05-10 with total page 416 pages. Available in PDF, EPUB and Kindle. Book excerpt: Parallel Computations focuses on parallel computation, with emphasis on algorithms used in a variety of numerical and physical applications and for many different types of parallel computers. Topics covered range from vectorization of fast Fourier transforms (FFTs) and of the incomplete Cholesky conjugate gradient (ICCG) algorithm on the Cray-1 to calculation of table lookups and piecewise functions. Single tridiagonal linear systems and vectorized computation of reactive flow are also discussed. Comprised of 13 chapters, this volume begins by classifying parallel computers and describing techniques for performing matrix operations on them. The reader is then introduced to FFTs and the tridiagonal linear system as well as the ICCG method. Different versions of the conjugate gradient method for solving the time-dependent diffusion equation are considered. Subsequent chapters deal with two- and three-dimensional fluid flow calculations, paying particular attention to the principal issues in designing efficient numerical methods for hydrodynamic calculations; the decisions that a numerical modeler must make to optimize chemically reactive flow simulations; and how to handle disk-to-core data transfer and storage allocation for the solution of the implicit equations for three-dimensional flows. The book also describes the time-split finite difference scheme for solving the two-dimensional Navier-Stokes equation for flows through slotted nozzles. Finally, the large-scale stimulation of plasmas, as carried out on a small computer with an array processor, is discussed. This monograph should be of interest to specialists in computer science.

Download or read book Quantum Chemistry written by Henry F. Schaefer III and published by Courier Corporation. This book was released on 2012-11-14 with total page 180 pages. Available in PDF, EPUB and Kindle. Book excerpt: For each of 150 landmark papers in ab initio molecular electronic structure methods, the author provides a lucid commentary that focuses on methodology, rather than particular chemical problems. 1984 edition.

Download or read book Theory and Applications of Computational Chemistry written by Clifford Dykstra and published by Elsevier. This book was released on 2011-10-13 with total page 1336 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational chemistry is a means of applying theoretical ideas using computers and a set of techniques for investigating chemical problems within which common questions vary from molecular geometry to the physical properties of substances. Theory and Applications of Computational Chemistry: The First Forty Years is a collection of articles on the emergence of computational chemistry. It shows the enormous breadth of theoretical and computational chemistry today and establishes how theory and computation have become increasingly linked as methodologies and technologies have advanced. Written by the pioneers in the field, the book presents historical perspectives and insights into the subject, and addresses new and current methods, as well as problems and applications in theoretical and computational chemistry. Easy to read and packed with personal insights, technical and classical information, this book provides the perfect introduction for graduate students beginning research in this area. It also provides very readable and useful reviews for theoretical chemists.* Written by well-known leading experts * Combines history, personal accounts, and theory to explain much of the field of theoretical and compuational chemistry* Is the perfect introduction to the field

Download or read book NBS Technical Note written by and published by . This book was released on 1974 with total page 144 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Scientific and Technical Aerospace Reports written by and published by . This book was released on 1985 with total page 278 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Catalog of Copyright Entries Third Series written by Library of Congress. Copyright Office and published by Copyright Office, Library of Congress. This book was released on 1979 with total page 1914 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Digest of Papers Compcon written by and published by . This book was released on 1980 with total page 536 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book ERDA Authorization Fiscal Year 1977 written by United States. Congress. House. Committee on Science and Technology and published by . This book was released on 1976 with total page 1092 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Public works for water and power development and energy research appropriations for fiscal year 1977 written by United States. Congress. Senate. Committee on Appropriations and published by . This book was released on 1976 with total page 1008 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book ERDA Authorizing Legislation Fiscal Year 1977 On overall budget 1 v in 2 written by United States. Congress. Joint Committee on Atomic Energy and published by . This book was released on 1976 with total page 720 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Hearings and Reports on Atomic Energy written by United States. Congress. Joint Committee on Atomic Energy and published by . This book was released on 1976 with total page 1382 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book ERDA Authorizing Legislation Fiscal Year 1977 written by United States. Congress. Joint Committee on Atomic Energy and published by . This book was released on 1976 with total page 708 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Public Works for Water and Power Development and Energy Research Appropriation Bill 1977 written by United States. Congress. House. Committee on Appropriations. Subcommittee on Public Works and published by . This book was released on 1976 with total page 872 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Public Works for Water and Power Development and Energy Research Approprations for Fiscal Year written by United States. Congress. Senate. Committee on Appropriations and published by . This book was released on 1976 with total page 988 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Hearings Reports and Prints of the Joint Committee on Atomic Energy written by United States. Congress. Joint Committee on Atomic Energy and published by . This book was released on 1976 with total page 1372 pages. Available in PDF, EPUB and Kindle. Book excerpt: