Science&Enigneering
DFT Keywords
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2012. 7. 5. 10:42
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first-principles density functional theory
pseudopotential (4 different ways) - google pseudopotential DFT
Gibbs phenomenon
Kohn–Sham equations
exchange correlation potential
k-space DFT - smearing....
http://www.physik.fu-berlin.de/einrichtungen/sfb/sfb658/tutorials/dokumente/tutorial_saalfrank.pdf
http://www.southampton.ac.uk/~compchem/other/DFT_Lectures/DFT_L6.pdf
http://nanodft09.iyte.edu.tr/pdf/EM-L2.pdf
http://dft.sandia.gov/Quest/DFT_codes.html#ppot-codes
http://tfy.tkk.fi/~asf/physics/lectures/PDF/lect7.pdf
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