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Quantum Chemistry of Solids

Quantum Chemistry of Solids

Robert A. Evarestov

414,16 €
IVA incluido
Disponible
Editorial:
Springer Nature B.V.
Año de edición:
2010
Materia
Química física
ISBN:
9783642080227
414,16 €
IVA incluido
Disponible

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Sobre IBD

Theory.- Space Groups and Crystalline Structures.- Symmetry and Localization of Crystalline Orbitals.- Hartree-Fock LCAO Method for Periodic Systems.- Electron Correlations in Molecules and Crystals.- Semiempirical LCAO Methods for Molecules and Periodic Systems.- Kohn-Sham LCAO Method for Periodic Systems.- Applications.- Basis Sets and Pseudopotentials in Periodic LCAO Calculations.- LCAO Calculations of Perfect-crystal Properties.- Modeling and LCAO Calculations of Point Defects in Crystals.- Surface Modeling in LCAO Calculations of Metal Oxides.

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Otros libros del autor

  • Quantum Chemistry of Solids
    Robert A. Evarestov
    Quantum Chemistry of Solids delivers a comprehensive account of the main features and possibilities of LCAO methods for the first principles calculations of electronic structure of periodic systems. The first part describes the basic theory underlying the LCAO methods applied to periodic systems and the use of Hartree-Fock(HF), Density Function theory(DFT) and hybrid Hamiltoni...
    Disponible

    266,98 €

  • Quantum Chemistry of Solids
    Robert A. Evarestov
    Quantum Chemistry of Solids delivers a comprehensive account of the main features and possibilities of LCAO methods for the first principles calculations of electronic structure of periodic systems. The first part describes the basic theory underlying the LCAO methods applied to periodic systems and the use of Hartree-Fock(HF), Density Function theory(DFT) and hybrid Hamiltoni...
    Disponible

    45,66 €