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Electronic structure methods for complex materials : the orthogonalized linear combination of atomic orbitals

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  • "Electronic structure methods"

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description

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  • "This title details the application of the OLCAO method for calculating the properties of solids from fundamental principles to a wide array of material systems. The method specialises in large and complex models and is able to compute a variety of useful properties including electronic, optical, and spectroscopic properties."
  • "Density functional theory (DFT) has blossomed in the past few decades into a powerful tool that is used by experimentalists and theoreticians alike. This book highlights the extensive contributions that the DFT-based OLCAO method has made to progress in this field, and it demonstrates its competitiveness for performing ab initio calculations on large and complex models of practical systems. A brief historical account and introduction to the elements of the theory set the stage fordiscussions on semiconductors, insulators, crystalline metals and alloys, complex crystals, non-crystalline solids and liquids, microstructure containing systems and those containing impurities, defects, and surfaces, biomolecular systems, and the technique of ab initio core level spectroscopycalculation."
  • "La 4e de couv. indique : "Density functional theory (DFT) has blossomed in the past few decades into a powerful tool that is used by experimentalists and theoreticians alike. This book highlights the extensive contributions that the DFT-based OLCAO method has made to progress in this field, and it demonstrates its competitiveness for performing ab initio calculations on large and complex models of practical systems. A brief historical account and introduction to the elements of the theory set the stage for discussions on semiconductors, insulators, crystalline metals and alloys, complex crystals, non-crystalline solids and liquids, microstructure containing systems and those containing impurities, defects, and surfaces, biomolecular systems, and the technique of ab initio core level spectroscopy calculation.""

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  • "Online-Publikation"
  • "Electronic books"

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  • "Electronic structure methods for complex materials the orthogonalized linear combination of atomic orbitals"
  • "Electronic structure methods for complex materials : the orthogonalized linear combination of atomic orbitals"
  • "Electronic structure methods for complex materials : the orthogonalized linear combination of atomic orbitals"@en
  • "Electronic Structure Methods for Complex Materials The orthogonalized linear combination of atomic Orbitals"@en

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