Analytical gradients for nuclear-electronic orbital time-dependent density functional theory: Excited state geometry optimizations and adiabatic excitation energies

308. Z. Tao,  S. Roy, P. E. Schneider, F. Pavošević, and S. Hammes-Schiffer, “Analytical gradients for nuclear-electronic orbital time-dependent density functional theory: Excited state geometry optimizations and adiabatic excitation energies,” J. Chem. Theory Comp.17, 5110-5122 (2021) . DOI: 10.1021/acs.jctc.1c00454

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