VM TIDFT, a penalty-based direct minimization method, optimizes excited-state orbitals without variational collapse and gives accurate energies for many excitations, although several validation claims are overextended.
Line search steps, one per PCG step, are not included in the iteration count
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Direct unconstrained optimization of excited states in density functional theory
VM TIDFT, a penalty-based direct minimization method, optimizes excited-state orbitals without variational collapse and gives accurate energies for many excitations, although several validation claims are overextended.