1 Introduction to TDDFT Eberhard
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منابع مشابه
Assessment of range-separated time-dependent density-functional theory for calculating C6 dispersion coefficients.
We assess a variant of linear-response range-separated time-dependent density-functional theory (TDDFT), combining a long-range Hartree-Fock (HF) exchange kernel with a short-range adiabatic exchange-correlation kernel in the local-density approximation (LDA) for calculating isotropic C6 dispersion coefficients of homodimers of a number of closed-shell atoms and small molecules. This range-sepa...
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تاریخ انتشار 2011