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Fully optimized contracted Gaussian basis sets for atoms Li to Kr

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Gaussian basis sets for use in correlated molecular calculations. III. The atoms aluminum through argon

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Density-Functional Theory for Time-Dependent Systems

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Rationale for mixing exact exchange with density functional approximations

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Treatment of electronic excitations within the adiabatic approximation of time dependent density functional theory

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An efficient implementation of time-dependent density-functional theory for the calculation of excitation energies of large molecules

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Gaussian Basis Functions for Use in Molecular Calculations. I. Contraction of (9s5p) Atomic Basis Sets for the First-Row Atoms

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Molecular excitation energies to high-lying bound states from time-dependent density-functional response theory: Characterization and correction of the time-dependent local density approximation ionization threshold

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Excitation Energies from Time-Dependent Density-Functional Theory

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Development and assessment of new exchange-correlation functionals

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Density-functional approach to local-field effects in finite systems: Photoabsorption in the rare gases

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Dynamic polarizabilities and excitation spectra from a molecular implementation of time-dependent density-functional response theory: N2 as a case study

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Accurate excitation energies from time-dependent density functional theory: Assessing the PBE0 model

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What Do the Kohn−Sham Orbitals and Eigenvalues Mean?

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Towards an accurate molecular orbital theory for excited states: Ethene, butadiene, and hexatriene

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Geometric derivatives of density functional theory excitation energies using gradient-corrected functionals

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Experiment versus Time Dependent Density Functional Theory Prediction of Fullerene Electronic Absorption

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Asymptotic correction approach to improving approximate exchange–correlation potentials: Time-dependent density-functional theory calculations of molecular excitation spectra

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Density-functional-theory response-property calculations with accurate exchange-correlation potentials

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Time-dependent density functional study on the electronic excitation energies of polycyclic aromatic hydrocarbon radical cations of naphthalene, anthracene, pyrene, and perylene

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Excited-state potential energy curves from time-dependent density-functional theory: A cross section of formaldehyde's1A1 manifold

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Excitation Energies for Transition Metal Compounds from Time-Dependent Density Functional Theory. Applications to MnO4-, Ni(CO)4, and Mn2(CO)10

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Improved density functional theory results for frequency-dependent polarizabilities, by the use of an exchange-correlation potential with correct asymptotic behavior

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A long-range-corrected time-dependent density functional theory

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TD-DFT benchmarks: A review

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Higher-order equation-of-motion coupled-cluster methods

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