Quantum mechanical first principles calculations of the electronic and magnetic structure of fe-bearing rock-forming silicates
Problems in quantum mechanics (edited by: b t geilikman) (edición en inglés)
- ISBN: 9781599423166
- Encuadernación: Sin formato definido
Problems and solutions on quantum mechanics (edición en inglés)
The focus of this thesis is the study of the electronic and magnetic structure of three representative members of Fe-bearing rock-forming silicates, viz. orthoferrosilite (Fe2+2Si2O6), almandine (Fe2+3Al2(SiO4)3) and andradite (Ca3Fe3+2(SiO4)3). These minerals have attracted significant attention due to their abundance in the Earths crust and mantle, and because crystallised silicates are main components of cosmic dust which is the most abundant raw material in the Universe. For this purpose quantum mechanical first principles electronic structure calculations are performed by the most efficient DFT method in the local spin-density approximation for calculating spectroscopic data
The quantum phase operator: a review (optics and optoelectronics) (1st ed.) (edición en inglés)
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