This chapter provides a summary of the minimum necessary concepts needed to understand the discussions of density functional theory (DFT) that appear in the main text. Section 16.1 is motivated by the discussions in Sect. 10.1.4 and Sect. 10.2.2 . The topics from Sect. 16.2 onward are motivated by the discussion in Sect. 10.1.6 .

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Appendix F: Notes on Density Functional Theory

  • Ryo Maezono

摘要

This chapter provides a summary of the minimum necessary concepts needed to understand the discussions of density functional theory (DFT) that appear in the main text. Section 16.1 is motivated by the discussions in Sect. 10.1.4 and Sect. 10.2.2 . The topics from Sect. 16.2 onward are motivated by the discussion in Sect. 10.1.6 .