Advanced Density Functional Theory Methods tor Materials Science
<p>In this work we chiefly deal with two broad classes of problems in computational materials science, determining the doping mechanism in a semiconductor and developing an extreme condition equation of state. While solving certain aspects of these questions is well-trodden ground, both requir...
Internet
https://thesis.library.caltech.edu/8476/1/sbd_thesis_fin.pdfDemers, Steven Brian (2014) Advanced Density Functional Theory Methods tor Materials Science. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/KNJR-6F80. https://resolver.caltech.edu/CaltechTHESIS:06032014-224426152 <https://resolver.caltech.edu/CaltechTHESIS:06032014-224426152>