'Methods scale' diaporamas de présentation

Density Functional Theory (DFT)

Density Functional Theory (DFT). DFT is an alternative approach to the theory of electronic structure; electron density plays a central role in DFT. Why a new theory?. HF method scales as K 4 (K - # of basis functions) CI methods scale as K 6 -K 10 MPn methods scale as >K 5

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