Quantum mechanical cluster calculations in solid state studies / edited by R.W. Grimes, C.R.A. Catlow & A.L. Shluger
Digitised Book 216.73.216.10 (0)
Information About
Quantum mechanical methods are being used increasingly to probe the properties of materials. Of particular importance is the behavior of localized states - defects or impurities - which commonly control the spectroscopic transport, thermodynamic and mechanical properties of crystalline solids. Simulation methods based on effective potentials have had an important impact on this field. One of the objectives of the book is to illustrate that different methodologies can not only be used to investigate similar types of problems but that often complementary results are obtained.
Additional Details
- Title
- Quantum mechanical cluster calculations in solid state studies / edited by R.W. Grimes, C.R.A. Catlow & A.L. Shluger
- Subject
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- Quantum chemistry
- Solid state chemistry
- Publisher
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- World Scientific,
- National Library Board Singapore,
- Contributors
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- Grimes, R. W. (Robin W.)
- Catlow, C. R. A. (Charles Richard Arthur), 1947-
- Shluger, A. L.
- Digital Description
- application/pdf, ill.
- Table of Contents
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- Preface -- pt.1. Embedding techniques and applications of the Hartree-Fock method -- pt.2 Local density approximation based methods -- pt.3 Model Hamiltonians and semiempirical approaches -- pt.4 Techniques based on interatomic potentials.
- Copyright
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- All Rights Reserved. National Library Board Singapore 2009.