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Showing 1 to 3 of 3 for “"Optimized effective potential"”.
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Theoretical and Computational Aspects of the Optimized Effective Potential Approach within Density Functional Theory
… orbital-dependent functionals through the optimized effective potential (OEP) approach, as well as extending the potential functional formalism that provides the formal basis for the OEP approach to systems in the presence of noncollinear magnetic fields.</p><p>The self-consistent …
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Orbital Functionals in Time-Dependent Density-Functional Theory
… under certain conditions the time-dependent xc potential must change discontinuously whenever the particle number crosses an integer number. The subject of Chap. 4 is the static and time-dependent optimized effective potential equation. This integral equation must be solved to obtain the xc …
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Charge and excitation-energy transfer in time-dependent density functional theory
… Kohn-Sham DFT that is based on the generalized optimized effective potential to TDDFT using a real-time propagation approach. The multiplicative Kohn-Sham potential allows for a transparent analysis of the exchange-correlation potential during time evolution. It reveals frequency-dependent …