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CHEM 938: Density Functional Theory

CHEM 938: Density Functional Theory. Basics of DFT. January 21, 2010. Density Functional Theory. density functional theory treats the electron density quantum mechanically. currently density functional theory (DFT) calculations are the most common type of quantum chemical calculation.

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Possible density - PowerPoint PPT Presentation

CHEM 938: Density Functional Theory