Ab-initio Calculations of the Optical Absorption of Metal Clusters Based on Density Functional Theory PDF Download
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Author: Mario Bandić
Publisher:
ISBN:
Category :
Languages : en
Pages : 123
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Author: Mario Bandić
Publisher:
ISBN:
Category :
Languages : en
Pages : 123
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Book Description
Author: Walter Ekardt
Publisher: John Wiley & Sons
ISBN:
Category : Science
Languages : en
Pages : 312
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Book Description
Metal Clusters Edited by Walter Ekardt Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin, Germany The current state of knowledge on these aggregated metal atoms, including both the fundamental principles and recent results, is presented here in a comprehensive form. Emphasis is placed on the theory linking it to the latest experimental results. Topics covered include: The Jellium Model; The Quantum Chemical Approach; Density Functional Theory and Car-Parrinello Molecular Dynamics; Dissociation, Fragmentation and Fission; Optical and Thermal Properties of Sodium Clusters; and Magnetic Properties of Transition Metal Clusters. Metal Clusters is set to become the standard reference work in this mature field and will be invaluable for all researchers in a broad range of disciplines from theoretical chemistry to condensed matter physics and materials science.
Author: D.E. Ellis
Publisher: Springer Science & Business Media
ISBN: 9780792330837
Category : Science
Languages : en
Pages : 334
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Book Description
Rapid advances are taking place in the application of density functional theory (DFT) to describe complex electronic structures, to accurately treat large systems and to predict physical and chemical properties. Both theoretical content and computational methodology are developing at a pace which offers researchers new opportunities in areas such as quantum chemistry, cluster science, and solid state physics. This volume contains ten contributions by leading scientists in the field and provides an authoritative overview of the most important developments. The book focuses on the following themes: determining adequate approximations for the many-body problem of electronic correlations; how to transform these approximations into computational algorithms; applications to discover and predict properties of electronic systems; and developing the theory. For researchers in surface chemistry, catalysis, ceramics and inorganic chemistry.
Author: Paola Nava
Publisher: Cuvillier Verlag
ISBN: 3865375960
Category :
Languages : en
Pages : 125
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Book Description
Author: George Maroulis
Publisher: World Scientific
ISBN: 1908979747
Category : Science
Languages : en
Pages : 693
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Book Description
With the central importance of electric polarizability and hyperpolarizability for a wide spectrum of activities, this book charts the trends in the accurate theoretical determination of these properties in specialized fields. The contributions include reviews and original papers that extend from methodology to applications in specific areas of primary importance such as cluster science and organic synthesis of molecules with specific properties./a
Author: Ambrish Kumar Srivastava
Publisher: Frontiers Media SA
ISBN: 2889719200
Category : Science
Languages : en
Pages : 108
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Book Description
Author: Klaus D. Sattler
Publisher: CRC Press
ISBN: 1420075519
Category : Science
Languages : en
Pages : 782
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Book Description
Many bottom-up and top-down techniques for nanomaterial and nanostructure generation have enabled the development of applications in nanoelectronics and nanophotonics. Handbook of Nanophysics: Nanoelectronics and Nanophotonics explores important recent applications of nanophysics in the areas of electronics and photonics. Each peer-reviewed c
Author: Bruno Pignataro
Publisher: John Wiley & Sons
ISBN: 9783527630547
Category : Technology & Engineering
Languages : en
Pages : 432
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Book Description
Written by some of the most talented young chemists in Europe, this text covers most of the groundbreaking issues in materials science. It provides an account of the latest research results in European materials chemistry based on a selection of leading young scientists participating in the 2008 European Young Chemists Award competition. The contributions range from nanotechnology to catalysis. In addition, the authors provide a current overview of their field of research and a preview of future directions. For materials scientists, as well as organic and analytical chemists.
Author: Miguel A.L. Marques
Publisher: Springer Science & Business Media
ISBN: 3540354220
Category : Science
Languages : en
Pages : 604
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Book Description
Time-dependent density functional theory (TDDFT) is based on a set of ideas and theorems quite distinct from those governing ground-state DFT, but emphasizing similar techniques. Today, the use of TDDFT is rapidly growing in many areas of physics, chemistry and materials sciences where direct solution of the Schrödinger equation is too demanding. This is the first comprehensive, textbook-style introduction to the relevant basics and techniques.
Author: Rajarshi Sinha Roy
Publisher:
ISBN:
Category :
Languages : en
Pages : 0
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