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Quantum Simulations of Materials and Biological Systems

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 |  2014-08-09 |  2014-08-09 | Original language:English | PDF # 1 |  9.25 x.49 x6.10l,.66 | File type: PDF | 198 pages

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Quantum Simulations of Materials and Biological Systems features contributions from leading world experts in the fields of density functional theory (DFT) and its applications to material and biological systems.

The recent developments of correlation functionals, implementations of Time-dependent algorithm into DFTB+ method are presented. The applications of DFT method to large materials and biological systems such as understanding of optical and electro...

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