Density functional calculations : : recent progresses of theory and application / / edited by Gang Yang.

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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Place / Publishing House:London, England : : IntechOpen,, [2018]
©2018
Year of Publication:2018
Language:English
Physical Description:1 online resource (x, 262 pages) :; illustrations
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