Density Functional Calculations Recent Progresses of Theory and Application

Density functional theory (DFT) ranks as the most widely used quantum mechanical method and plays an increasingly larger role in a number of disciplines such as chemistry, physics, material, biology, and pharmacy. DFT has long been used to complement experimental investigations, while now it is also...

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Bibliographic Details
Other Authors: Yang, Gang (Editor)
Format: Electronic Book Chapter
Language:English
Published: IntechOpen 2018
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