First principles simulations : development of new density functionals and pseudopotentials and formation mechanism of fullerenes
NOTE: Text or symbols not renderable in plain ASCII are indicated by [...]. Abstract is included in .pdf document. This thesis consists of two parts. Part I deals with the development of first principles methodologies. Part II deals with applications of atomistic simulations, i.e. quantum mechanics...
Internet
https://thesis.library.caltech.edu/59/1/Hua_x_1996.pdfHua, Xinlei (1996) First principles simulations : development of new density functionals and pseudopotentials and formation mechanism of fullerenes. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/r7qa-wt76. https://resolver.caltech.edu/CaltechETD:etd-01072008-115130 <https://resolver.caltech.edu/CaltechETD:etd-01072008-115130>