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Ensemble Time-Dependent Density Functional Theory

physics.chem-ph · 2025-07-25 · unverdicted · novelty 7.0

Ensemble TDDFT generalizes TDDFT and EDFT by ensemble-extending the Gross-Kohn equation and XC kernel and applying EDFT to time-dependent problems, illustrated on the 2-site Hubbard model.

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  • Ensemble Time-Dependent Density Functional Theory physics.chem-ph · 2025-07-25 · unverdicted · none · ref 76

    Ensemble TDDFT generalizes TDDFT and EDFT by ensemble-extending the Gross-Kohn equation and XC kernel and applying EDFT to time-dependent problems, illustrated on the 2-site Hubbard model.