Benchmarking the performance of time-dependent density functional methods
Benchmarking the performance of time-dependent density functional methods is a scholarly work, published in 2012 in ''Journal of Chemical Physics''. The main subjects of the publication include density functional theory, Orbital-free density functional theory, perovskite solar cell, valence, atomic physics, physics, excited state, Hybrid functional, computational chemistry, Rydberg formula, chemistry, singlet state, excitation, molecular physics, benchmark, Basis set, materials science, ground state, quantum biology, and local-density approximation. The global-hybrid (GH) version of the Perdew-Burke-Ernzerhoff GGA density functional (PBE0) is found to offer the best overall performance with a mean absolute error (MAE) of 0.28 eV.