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  • TIME-DEPENDENT DENSITY FUNCTIONAL THEORY
    ebook
    TIME-DEPENDENT DENSITY FUNCTIONAL THEORY
    CHAOYUAN ZHU
    In recent decades, time-dependent density functional theory has been developed for computing excited-state properties of large-scale systems to high accuracy in biomolecules and nanomaterials, especially for ab initio nonadiabatic molecular dynamic simulations. It is therefore regarded as a most unique efficient method to do accurate simulation for large complex systems. This b...

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