Special Issue on Electron Correlation in Atoms and Molecules

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Publisher :
ISBN 13 :
Total Pages : 93 pages
Book Rating : 4.:/5 (312 download)

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Book Synopsis Special Issue on Electron Correlation in Atoms and Molecules by :

Download or read book Special Issue on Electron Correlation in Atoms and Molecules written by and published by . This book was released on 1995 with total page 93 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Special Issue on Electron Correlation in Atoms and Molecules: New Methods and Applications

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Publisher :
ISBN 13 :
Total Pages : 138 pages
Book Rating : 4.:/5 (257 download)

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Book Synopsis Special Issue on Electron Correlation in Atoms and Molecules: New Methods and Applications by : Satellite Meeting Electron Correlation in Atoms and Molecules: New Methods and Applications

Download or read book Special Issue on Electron Correlation in Atoms and Molecules: New Methods and Applications written by Satellite Meeting Electron Correlation in Atoms and Molecules: New Methods and Applications and published by . This book was released on 1995 with total page 138 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Electron Correlation in Molecules

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Publisher : Courier Corporation
ISBN 13 : 0486150224
Total Pages : 305 pages
Book Rating : 4.4/5 (861 download)

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Book Synopsis Electron Correlation in Molecules by : S. Wilson

Download or read book Electron Correlation in Molecules written by S. Wilson and published by Courier Corporation. This book was released on 2014-07-01 with total page 305 pages. Available in PDF, EPUB and Kindle. Book excerpt: Electron correlation effects are of vital significance to the calculation of potential energy curves and surfaces, the study of molecular excitation processes, and in the theory of electron-molecule scattering. This text describes methods for addressing one of theoretical chemistry's central problems, the study of electron correlation effects in molecules. Although the energy associated with electron correlation is a small fraction of the total energy of an atom or molecule, it is of the same order of magnitude as most energies of chemical interest. If the solution of quantum mechanical equations from first principles is to provide an accurate quantitative prediction, reliable techniques for the theoretical determination of the effect of electron correlation on molecular properties are therefore important. To that end, this text explores molecular electronic structure, independent electron models, electron correlation, the linked diagram theorem, group theoretical aspects, the algebraic approximation, and truncation of expansions for expectation values.

Electron Correlation in Molecules

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ISBN 13 : 9781306937856
Total Pages : 281 pages
Book Rating : 4.9/5 (378 download)

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Book Synopsis Electron Correlation in Molecules by : Stephen Wilson

Download or read book Electron Correlation in Molecules written by Stephen Wilson and published by . This book was released on 2014-01-01 with total page 281 pages. Available in PDF, EPUB and Kindle. Book excerpt: Electron correlation effects are of vital significance to the calculation of potential energy curves and surfaces, the study of molecular excitation processes, and in the theory of electron-molecule scattering. This text describes methods for addressing one of theoretical chemistry's central problems, the study of electron correlation effects in molecules. Although the energy associated with electron correlation is a small fraction of the total energy of an atom or molecule, it is of the same order of magnitude as most energies of chemical interest. If the solution of quantum mechanical equations from first principles is to provide an accurate quantitative prediction, reliable techniques for the theoretical determination of the effect of electron correlation on molecular properties are therefore important. To that end, this text explores molecular electronic structure, independent electron models, electron correlation, the linked diagram theorem, group theoretical aspects, the algebraic approximation, and truncation of expansions for expectation values.

Special Issue Electron Correlation and Multimode Dynamics in Molecules

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ISBN 13 :
Total Pages : 370 pages
Book Rating : 4.:/5 (17 download)

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Book Synopsis Special Issue Electron Correlation and Multimode Dynamics in Molecules by : Horst Köppel

Download or read book Special Issue Electron Correlation and Multimode Dynamics in Molecules written by Horst Köppel and published by . This book was released on 2006 with total page 370 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Electron Correlations in Solids, Molecules, and Atoms

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Publisher : Springer Science & Business Media
ISBN 13 : 1461334977
Total Pages : 440 pages
Book Rating : 4.4/5 (613 download)

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Book Synopsis Electron Correlations in Solids, Molecules, and Atoms by : Jozef T. Devreese

Download or read book Electron Correlations in Solids, Molecules, and Atoms written by Jozef T. Devreese and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 440 pages. Available in PDF, EPUB and Kindle. Book excerpt: From July 20 till 31, 1981, the Advanced Study Institute on "Electron Correlations in Solids, Molecules and Atoms", sponsored by NATO, was held at the University of Antwerpen (U.I.A.), in the Conference Center Corsendonk. In the last few years, the problem of many-electron correlations has gained renewed attention, due to recent experimental and theoretic al developments. From the theoretical point of view, more sophisticated treatments of the homogeneous electron gas model evolved, including dynamical aspects of the electron correlation in the dielectric response. Furthermore, the homogeneous electron gas, which served as a model for simple metals, was extended to include spin- and charge-density waves and phasons. The concept of elementary excitations too was introduced not only in perfectly ordered metallic crystals, but also in magnetic alloys, in liquid metals and alloys, in semiconductors, and even in molecules and atoms. Fairly accurate quantitative calculations of these effects recently became possible, ranging from plasmon frequencies in atoms, over dielectric response of semiconduc tors and resistivity in magnetic alloys to electron-hole liquids and their phase separation. The recent technological evolution allowed for more accurate measurements in previously unaccessible domains, e.g. X-ray scatter ing and fast electron energy loss at large wavevector. Moreover, these new developments opened new perspectives in physics, accompany ing or even introducing the new concepts which also evolved in the theory.

Electron Correlation in Molecules and Condensed Phases

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Publisher : Springer Science & Business Media
ISBN 13 : 148991370X
Total Pages : 404 pages
Book Rating : 4.4/5 (899 download)

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Book Synopsis Electron Correlation in Molecules and Condensed Phases by : Norman H. March

Download or read book Electron Correlation in Molecules and Condensed Phases written by Norman H. March and published by Springer Science & Business Media. This book was released on 2013-11-11 with total page 404 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book had its origins in lectures presented at EPFL, Lausanne, during two separate visits (the most recent being to IRRMA). The author is most grateful to Professors A. Baldereschi, R. Car, and A. Quattropani for making these visits possible, and for the splendidly stimulating environment provided. Professors S. Baroni and R. Resta also influenced considerably the presentation of material by constructive help and comments. Most importantly, Chapters 4 and 5 were originally prepared for a review article by Professor G. Senatore, then at Pavia and now in Trieste, and myself for Reviews of Modem Physics (1994). In the 'course of this collaboration, he has taught me a great deal, especially about quantum Monte Carlo procedures, and Chapter 5 is based directly on this review article. Also in Chapter 4, my original draft on Gutzwiller's method has been transformed by his deeper understanding; again this is reflected directly in Chapter 4; especially in the earlier sections. In addition to the above background, it is relevant here to point out that, as a backcloth for the present, largely "state of the art," account, there are two highly relevant earlier books: The Many-body Problem in Quantum Mechanics with W.

Electron Correlation Dynamics in Atomic Collisions

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Publisher : Cambridge University Press
ISBN 13 : 9780521018593
Total Pages : 304 pages
Book Rating : 4.0/5 (185 download)

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Book Synopsis Electron Correlation Dynamics in Atomic Collisions by : J. H. McGuire

Download or read book Electron Correlation Dynamics in Atomic Collisions written by J. H. McGuire and published by Cambridge University Press. This book was released on 2005-12-15 with total page 304 pages. Available in PDF, EPUB and Kindle. Book excerpt: This graduate/research level text introduces the theory of multi-electron transitions in atomic, molecular and optical physics, emphasizing the emerging topic of dynamic electron correlation. The book begins with an overview of simple binomial probabilities, classical scattering theory, quantum scattering and correlation, followed by the theory of single electron transition probabilities. Multiple electron transition probabilities are then treated in detail. Various approaches to multiple electron transitions are covered including the independent electron approximation, useful statistical methods and perturbation expansions treating correlation in both weak and strong limits. The dynamics of electron correlation are strongly emphasized. The text contains a comprehensive summary of data for few and many-electron transitions in atoms and molecules, including transitions on different atomic centers, fast ion-atom and electron-atom interactions, and recent observations using synchrotron radiation. Emphasis is given to methods that may be used by nonspecialists.

Fast Ion-atom and Ion-molecule Collisions

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Publisher : World Scientific
ISBN 13 : 9814407135
Total Pages : 335 pages
Book Rating : 4.8/5 (144 download)

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Book Synopsis Fast Ion-atom and Ion-molecule Collisions by : Dzevad Belkic

Download or read book Fast Ion-atom and Ion-molecule Collisions written by Dzevad Belkic and published by World Scientific. This book was released on 2013 with total page 335 pages. Available in PDF, EPUB and Kindle. Book excerpt: The principal goal of this book is to provide state-of-the-art coverage of the non-relativistic three- and four-body theories at intermediate and high energy ion-atom and ion-molecule collisions. The focus is on the most frequently studied processes: electron capture, ionization, transfer excitation and transfer ionization. The content is suitable both for graduate students and experienced researchers. For these collisions, the literature has seen enormous renewal of activity in the development and applications of quantum-mechanical theories. This subject is of relevance in several branches of science and technology, like accelerator-based physics, the search for new sources of energy and high temperature fusion of light ions. Other important applications are in life sciences via medicine, where high-energy ion beams are used in radiotherapy for which a number of storage ring accelerators are in full operation, under construction or planned to be built worldwide. Therefore, it is necessary to review this field for its most recent advances with an emphasis on the prospects for multidisciplinary applications.This book is accompanied by Interdisciplinary Research on Particle Collisions and Quantitative Spectroscopy Volume 2 - Fast Collisions of Light Ions with Matter: Charge Exchange and Ionization.

Relativistic and Electron Correlation Effects in Molecules and Solids

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Publisher : Springer Science & Business Media
ISBN 13 : 1489913408
Total Pages : 478 pages
Book Rating : 4.4/5 (899 download)

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Book Synopsis Relativistic and Electron Correlation Effects in Molecules and Solids by : G.L. Malli

Download or read book Relativistic and Electron Correlation Effects in Molecules and Solids written by G.L. Malli and published by Springer Science & Business Media. This book was released on 2013-11-21 with total page 478 pages. Available in PDF, EPUB and Kindle. Book excerpt: The NATO Advanced Study Institute (ASI) on "R@lativistic and Electron Correlation Effects in Molecules and Solids", co-sponsored by Simon Fraser University (SFU) and the Natural Sciences and Engineering Research Council of Canada (NSERC) was held Aug 10- 21, 1992 at the University of British Columbia (UBC), Vancouver, Canada. A total of 90 lecturers and students with backgrounds in Chemistry, Physics, Mathematics and various interdisciplinary subjects attended the ASI. In my proposal submitted to NATO for financial support for this ASI, I pointed out that a NATO ASI on the effects of relativity in many-electron systems was held ten years ago, [See G.L. Malli, (ed) Relativistic Effects in Atoms, Molecules and Solids, Plenum Press, Vol B87, New York, 1983]. Moreover, at a NATO Advanced Research Workshop (ARW) on advanced methods for molecular electronic structure "an assessment of state-of the-art of Electron Correlation ... " was carried out [see C.E. Dykstra, (ed), Advanced Theories and Computational Approaches to the Electronic Structure of Molecules, D. Reidel Publishin~ Company, Vol C133, Dordrecht, The Netherlands 1984]. However, during the last five years, it has become clear that the relativistic and electron correlation effects must be included in the theoretical treatment of many-electron molecules and solids of heavy elements (with Z > 70). Molecules and clusters containing heavy elements are of crucial importance in a number of areas of Chemistry and Physics such as nuclear fuels, catalysis, surface science, etc.

Electron Correlations in Molecules and Solids

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Publisher : Springer Science & Business Media
ISBN 13 : 9783540593645
Total Pages : 504 pages
Book Rating : 4.5/5 (936 download)

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Book Synopsis Electron Correlations in Molecules and Solids by : Peter Fulde

Download or read book Electron Correlations in Molecules and Solids written by Peter Fulde and published by Springer Science & Business Media. This book was released on 1995 with total page 504 pages. Available in PDF, EPUB and Kindle. Book excerpt: Electron Correlations in Molecules and Solids bridges the gap between quantum chemistry and solid-state theory. In the first half of the text new concepts are developed for treating many-body and correlation effects, combining standard quantum chemical methods with projection techniques, Greens-function methods and Monte-Carlo techniques. The second half deals with applications of the theory to molecules, semiconductors, transition metals, heavy-fermion systems, and the new high-Tc superconducting materials.

Electron Correlation Effects in Atoms and Molecules

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ISBN 13 :
Total Pages : 152 pages
Book Rating : 4.:/5 (28 download)

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Book Synopsis Electron Correlation Effects in Atoms and Molecules by : Wilm Ernst Donath

Download or read book Electron Correlation Effects in Atoms and Molecules written by Wilm Ernst Donath and published by . This book was released on 1958 with total page 152 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Methods in Computational Chemistry

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Publisher : Springer
ISBN 13 : 9780306426452
Total Pages : 0 pages
Book Rating : 4.4/5 (264 download)

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Book Synopsis Methods in Computational Chemistry by : Stephen Wilson

Download or read book Methods in Computational Chemistry written by Stephen Wilson and published by Springer. This book was released on 1987-11-30 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: When, forty years ago, as a student of Charles Coulson in Oxford I began work in theoretical chemistry, I was provided with a Brunsviga calculator-a small mechanical device with a handle for propulsion, metal levers for setting the numbers, and a bell that rang to indicate overflow. What has since come to be known as computational chemistry was just beginning. There followed a long period in which the fundamental theory of the "golden age" (1925-1935) was extended and refined and in which the dreams of the early practitioners were gradually turned into hard arithmetic reality. As a still-computing survivor from the early postwar days now enjoying the benefits of unbelievably improved hardware, I am glad to contribute a foreword to this series and to have the opportunity of providing a little historical perspective. After the Brunsviga came the electromechanical machines of the late 1940s and early 1950s, and a great reduction in the burden of calculating molecular wavefunctions. We were now happy. At least for systems con taining a few electrons it was possible to make fully ab initio calculations, even though semiempirical models remained indispensable for most molecules of everyday interest. The 1950 papers of Hall and of Roothaan represented an important milestone along the road to larger-scale non empirical calculations, extending the prewar work of Hartree and Fock from many-electron atoms to many-electron molecules-and thus into "real chemistry.

Electron-molecule Scattering

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Publisher : John Wiley & Sons
ISBN 13 :
Total Pages : 228 pages
Book Rating : 4.:/5 (37 download)

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Book Synopsis Electron-molecule Scattering by : Sanborn Conner Brown

Download or read book Electron-molecule Scattering written by Sanborn Conner Brown and published by John Wiley & Sons. This book was released on 1979 with total page 228 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Electron Correlation in Molecules – ab initio Beyond Gaussian Quantum Chemistry

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Publisher : Academic Press
ISBN 13 : 0128030615
Total Pages : 441 pages
Book Rating : 4.1/5 (28 download)

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Book Synopsis Electron Correlation in Molecules – ab initio Beyond Gaussian Quantum Chemistry by :

Download or read book Electron Correlation in Molecules – ab initio Beyond Gaussian Quantum Chemistry written by and published by Academic Press. This book was released on 2016-01-28 with total page 441 pages. Available in PDF, EPUB and Kindle. Book excerpt: Electron Correlation in Molecules – ab initio Beyond Gaussian Quantum Chemistry presents a series of articles concerning important topics in quantum chemistry, including surveys of current topics in this rapidly-developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology. Presents surveys of current topics in this rapidly-developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology Features detailed reviews written by leading international researchers The volume includes review on all the topics treated by world renown authors and cutting edge research contributions.

Many Body Theory of Electron Correlation in Atoms and Molecules

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Publisher :
ISBN 13 :
Total Pages : 102 pages
Book Rating : 4.:/5 (287 download)

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Book Synopsis Many Body Theory of Electron Correlation in Atoms and Molecules by : Francis Sio-ming Tsui

Download or read book Many Body Theory of Electron Correlation in Atoms and Molecules written by Francis Sio-ming Tsui and published by . This book was released on 1976 with total page 102 pages. Available in PDF, EPUB and Kindle. Book excerpt:

NBS Special Publication

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ISBN 13 :
Total Pages : 416 pages
Book Rating : 4.F/5 ( download)

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Book Synopsis NBS Special Publication by :

Download or read book NBS Special Publication written by and published by . This book was released on 1968 with total page 416 pages. Available in PDF, EPUB and Kindle. Book excerpt: