Symmetry and random sampling of symmetry independent configurations for the simulation of disordered solids
✍ Scribed by D’Arco, Philippe; Mustapha, Sami; Ferrabone, Matteo; Noël, Yves; De La Pierre, Marco; Dovesi, Roberto
- Book ID
- 121456105
- Publisher
- Institute of Physics
- Year
- 2013
- Tongue
- English
- Weight
- 487 KB
- Volume
- 25
- Category
- Article
- ISSN
- 0953-8984
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📜 SIMILAR VOLUMES
The implications of orbital symmetry for a configuration's spin function are considered from the fairly general viewpoint required for multiconfiguration wave functions employing nonorthogonal orbitals. A general procedure is derived for the imposition of the spin constraints that may be necessary t
This book gives the complete theory of the irreducible representations of the crystallographic point groups and space groups. This is important in the quantum-mechanical study of a particle or quasi-particle in a molecule or crystalline solid because the eigenvalues and eigenfunctions of a system be