Browsing School of Physics by Author "Pemmaraju, Sri Chaitanya Das"
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Implementation of self interaction free density functional methods and applications to dilute magnetic semiconductors
Pemmaraju, Sri Chaitanya Das (Trinity College (Dublin, Ireland). School of Physics, 2008)The present thesis mainly deals with the implementation of self interaction free density functional methods in a numerically efficient density functional theory code SIESTA and the application of the said methods in ab-inito ...