Quantum Chemistry Solid State Physics And Computational Methods

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Quantum Chemistry Solid State Physics And Computational Methods

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Author : Per-Olov Lowdin
language : en
Publisher:
Release Date : 1990

Quantum Chemistry Solid State Physics And Computational Methods written by Per-Olov Lowdin and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1990 with categories.

Quantum Chemistry Solid State Physics And Computational Methods

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Author : University of Florida. Faculty of Quantum Theory
language : en
Publisher:
Release Date : 1990

Quantum Chemistry Solid State Physics And Computational Methods written by University of Florida. Faculty of Quantum Theory and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1990 with Quantum chemistry categories.

Computational Methods For Large Molecules And Localized States In Solids

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Author : F. Herman
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06

Computational Methods For Large Molecules And Localized States In Solids written by F. Herman and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-06 with Science categories.

During the past few years, there has been dramatic progress in theoretical and computational studies of large molecules and local ized states in solids. Various semi-empirical and first-principles methods well known in quantum chemistry have been applied with considerable success to ever larger and more complex molecules, including some of biological importance, as well as to selected solid state problems involving localized electronic states. In creasingly, solid state physicists are adopting a molecular point of view in attempting to understand the nature of electronic states associated with (a) isolated structural and chemical defects in solids; (b) surfaces and interfaces; and (c) bulk disordered solids, most notably amorphous semiconductors. Moreover, many concepts and methods already widely used in solid state physics are being adapted to molecular problems. These adaptations include pseudopotentials, statistical exchange approxi mations, muffin-tin model potentials, and multiple scattering and cellular methods. In addition, many new approaches are being de vised to deal with progressively more complex molecular and local ized electronic state problems.

Computational Methods In Catalysis And Materials Science

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Author : Rutger A. van Santen
language : en
Publisher: John Wiley & Sons
Release Date : 2015-11-19

Computational Methods In Catalysis And Materials Science written by Rutger A. van Santen and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2015-11-19 with Technology & Engineering categories.

This practical guide describes the basic computational methodologies for catalysis and materials science at an introductory level, presenting the methods with relevant applications, such as spectroscopic properties, chemical reactivity and transport properties of catalytically interesting materials. Edited and authored by internationally recognized scientists, the text provides examples that may be considered and followed as state-of-the art.

Computer Simulation Of Materials At Atomic Level

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Author : P鈋ter·De鈇k
language : en
Publisher: John Wiley & Sons
Release Date : 2000

Computer Simulation Of Materials At Atomic Level written by P鈋ter·De鈇k and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2000 with Computers categories.

Peter Dea, Thomas Frauenheim, Mark R. Pederson (eds.) Computer Simulation of Materials at Atomic Level Combining theory and applications, this book deals with the modelling of materials properties and phenomena at atomic level. The first part provides an overview of the state-of-the-art of computational solid state physics. Emphasis is given on the understanding of approximations and their consequences regarding the accuracy of the results. This part of the book also deals as a guide to find the best method for a given purpose. The second part offers a potpourri of interesting topical applications, showing what can be achieved by computational modelling. Here the possibilities and the limits of the methods are stressed. A CD-ROM supplies various demo programmes of applications.

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Author :
language : en
Publisher:
Release Date : 1997

written by and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1997 with Science categories.

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Author : 国立国会図書館 (Japan)
language : en
Publisher:
Release Date : 1997

written by 国立国会図書館 (Japan) and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1997 with Science categories.

Computational Methods For Large Systems

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Author : Jeffrey R. Reimers
language : en
Publisher: John Wiley & Sons
Release Date : 2011-08-24

Computational Methods For Large Systems written by Jeffrey R. Reimers and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2011-08-24 with Science categories.

While its results normally complement the information obtained by chemical experiments, computer computations can in some cases predict unobserved chemical phenomena Electronic-Structure Computational Methods for Large Systems gives readers a simple description of modern electronic-structure techniques. It shows what techniques are pertinent for particular problems in biotechnology and nanotechnology and provides a balanced treatment of topics that teach strengths and weaknesses, appropriate and inappropriate methods. It’s a book that will enhance the your calculating confidence and improve your ability to predict new effects and solve new problems.

Kokuritsu Kokkai Toshokan Shoz Kagaku Gijutsu Kankei Bun Kaigiroku Mokuroku

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Author : Kokuritsu Kokkai Toshokan (Japan)
language : en
Publisher:
Release Date : 1997

Kokuritsu Kokkai Toshokan Shoz Kagaku Gijutsu Kankei Bun Kaigiroku Mokuroku written by Kokuritsu Kokkai Toshokan (Japan) and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1997 with Science categories.

Proceedings Of The International Symposium On Quantum Chemistry Solid State Physics And Computational Methods

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Author : Per Olov Löwdin
language : en
Publisher:
Release Date : 1990

Proceedings Of The International Symposium On Quantum Chemistry Solid State Physics And Computational Methods written by Per Olov Löwdin and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1990 with Quantum chemistry categories.