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  • Density Functional Theoryby David Sholl; Janice A Steckel

    Wiley 2011; US$ 110.00

    Demonstrates how anyone in math, science, and engineering can master DFT calculations Density functional theory (DFT) is one of the most frequently used computational tools for studying and predicting the properties of isolated molecules, bulk solids, and material interfaces, including surfaces. Although the theoretical underpinnings of DFT are quite... more...

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