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State wavefunctions - PowerPoint PPT Presentation

Quantum Chemistry / Quantum Mechanics Density Functional Theory

Quantum Chemistry / Quantum Mechanics Density Functional Theory. Background. 1920s : Introduction of the Thomas-Fermi model. 1964 : Hohenberg-Kohn paper proving existence of exact DF. 1965 : Kohn-Sham scheme introduced. 1970s and early 80s : LDA. DFT becomes useful.

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State wavefunctions - PowerPoint PPT Presentation

Quantum Chemistry / Quantum Mechanics Density Functional Theory