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Relativistic electronic structure theory. Pt. 2, Applications (dedicated to Prof. Pekka Pyykk�o on the occasion of his 60th birthday) /
The field of relativistic electronic structure theory is generally not part of theoretical chemistry education, and is therefore not covered in most quantum chemistry textbooks. This is due to the fact that only in the last two decades have we learned about the importance of relativistic effects in...
| Clasificación: | Libro Electrónico |
|---|---|
| Otros Autores: | , |
| Formato: | Electrónico eBook |
| Idioma: | Inglés |
| Publicado: |
Amsterdam ; London :
Elsevier,
2004.
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| Temas: | |
| Acceso en línea: | Texto completo Texto completo |
Tabla de Contenidos:
- The Chemistry of the Superheavy Elements and Relativistic Effects.
- Accurate Relativistic Fock-Space Calculations for Many-Electron Atoms.
- Accurate Relativistic Calculations Including QED
- Contributions for Few-Electron Systems.
- Parity-Violation Effects in Molecules.
- Accurate Determination of Electric Field Gradients for Heavy Atoms and Molecules.
- Two-Component Relativistic Effective Core Potential
- Calculations for Molecules.
- Relativistic Ab-Initio Model Potential Calculations for Molecules and Embedded Clusters
- Relativistic Pseudopotential Calculations for Electronic Excited States
- Relativistic Effects on NMR Chemical Shifts.
- Relativistic Density Functional Calculations on Small Molecules.
- Quantum Chemistry with the Douglas-Kroll-Hess Approach to Relativistic Density Functional Theory: Efficient Methods for Molecules and Materials.
- Relativistic Solid State Calculations.