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#1
2008-04-19, 02:26 AM
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| Electronic Structure Calculations for Solids and Molecules: Theory and Computational Methods Electronic Structure Calculations for Solids and Molecules: Theory and Computational Methods Jorge Kohanoff  Publisher: Cambridge University Press Number Of Pages: 370 Publication Date: 2006-07-24 Description: Electronic structure problems are studied in condensed matter physics and theoretical chemistry to provide important insights into the properties of matter. This graduate textbook describes the main theoretical approaches and computational techniques, from the simplest approximations to the most sophisticated methods. It starts with a detailed description of the various theoretical approaches to calculating the electronic structure of solids and molecules, including density-functional theory and chemical methods based on Hartree-Fock theory. The basic approximations are thoroughly discussed, and an in-depth overview of recent advances and alternative approaches in DFT is given. The second part discusses the different practical methods used to solve the electronic structure problem computationally, for both DFT and Hartree-Fock approaches. Adopting a unique and open approach, this textbook is aimed at graduate studentsin physics and chemistry, and is intended to improve communication between these communities. It also serves as a reference for researchers entering the field. http://rapidshare.com/files/53423772...al_methods.pdf http://www.mediafire.com/?6vz3ghpmtk2 آخر تعديل بواسطة abu-omar ، 2008-04-19 الساعة 02:40 AM. السبب: mistake in the post  |
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#2
2008-04-19, 02:47 AM
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| Methods of Electronic-Structure Calculations: From Molecules to Solids Methods of Electronic-Structure Calculations: From Molecules to Solids Michael Springborg  Publisher: Wiley Number Of Pages: 516 Publication Date: 2000-07-13 Description: Methods of Electronic-Structure Calculations From Molecules to Solids Michael Springborg Department of Chemistry, University of Konstanz, Germany Electronic-structure calculations of the properties of specific materials have become increasingly important over the last 30 years. Although several books on the subject have been published, it is rare to find one that covers in detail both the traditional quantum chemistry and the solid-state physics methods of electronic-structure calculations. This title bridges that gap, focusing equally on both types of method, including density-functional and Hartree-Fock-based approaches. The book is aimed at final-year undergraduate and postgraduate students of both chemistry and of physics. It describes in detail the fundamentals behind the various methods that are used in calculating electronic properties of materials, and that to some extent are commercially available. It should also be of interest to professional scientists working in related theoretical or experimental fields. http://rapidshare.com/files/10854784...lculations.rar http://mihd.net/o5q90hc/__3f28b02__.html |
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مواضيع مشابهة للموضوع: Methods of Electronic-Structure Calculations: From Molecules to Solids | ||||
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| Chemical Hardness: Applications from Molecules to Solids | ابن العراق | الكيمياء الفيزيائية | 4 | 2008-07-02 03:49 PM |
| Electronic Properties of Solids Using Cluster Methods | inmyheart | الكيمياء الفيزيائية | 2 | 2008-05-10 01:03 AM |
| Chemical Hardness: Applications from Molecules to Solids | inmyheart | الكيمياء الفيزيائية | 2 | 2008-04-20 05:36 PM |
| Search for molecules by structure by or name | abu-omar | الكيمياء العامة | 0 | 2008-02-01 01:35 AM |
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