• Corpus ID: 118884253

On the Nature of Self-Consistency in Density Functional Theory

  title={On the Nature of Self-Consistency in Density Functional Theory},
  author={N D Woods},
  journal={arXiv: Other Condensed Matter},
  • N. Woods
  • Published 5 March 2018
  • Computer Science
  • arXiv: Other Condensed Matter
A thesis providing a pedagogical introduction to the problem of achieving self-consistency in density functional theory. Contained is an introduction to the framework of Kohn-Sham density functional theory, leading then to the considerations required to solve the equations of Kohn-Sham density functional theory. Specifically, a focus is placed on where current self-consistent field methodology is inefficient and/or fails to converge to a solution. As such, this review spans sub-disciplines such… 
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