Khandai, Santripti (2009) Band Structure of and Geometric Optimization of Cluster. MSc thesis.
In this project we have carried out a computer simulation for the studyof electronic structure of the bulk silicon and geometric structure of cluster. We found the charge density and energy band gap for the bulk silicon. The geometric optimization of the cluster was undertaken in this project.Finally we supply our results and state the future works in this field.
|Item Type:||Thesis ( MSc)|
|Uncontrolled Keywords:||clusters,pseudopotentials,exchange-correlation,geometric optimization|
|Subjects:||Physics > Molecular Physics|
|Divisions:||Sciences > Department of Physics|
|Deposited By:||Khandai Santripti|
|Deposited On:||08 May 2009 20:03|
|Last Modified:||14 Jun 2012 14:59|
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