Search for long-lasting electronic coherence using on-the-fly ab initio semiclassical dynamics

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Over the past decade we have developed Koopmans functionals, a computationally efficient approach for predicting spectral properties with an orbital-density-dependent functional framework. These functionals impose a generalized piecewise linearity conditio ...

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Search for long-lasting electronic coherence using on-the-fly ab initio semiclassical dynamics

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