Potential-energy surfaces of local excited states from subsystem- and selective Kohn-Sham-TDDFT

► Application of selective TDDFT for potential-energy surfaces. ► Improved eigenvector guesses for convergence speed-up. ► Intuitive single-orbital transition picture breaks down in adsorbate-surface model. ► Comparison of frozen-density embedding with classical point-charge models. ► Frozen-density embedding yields smooth potential-energy surfaces for adsorbate states.