Fantasy versus reality in fragment-based quantum chemistry von Herbert, John M.

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Dielectric continuum methods for quantum chemistry von Herbert, John M.

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Structure of the aqueous electron von Herbert, John M

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The Hydrated Electron von Herbert, John M, Coons, Marc P

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Slater transition methods for core-level electron binding energies von Jana, Subrata, Herbert, John M.

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Standard grids for high‐precision integration of modern density functionals: SG‐2 and SG‐3 von Dasgupta, Saswata, Herbert, John M.

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Energy-Screened Many-Body Expansion: A Practical Yet Accurate Fragmentation Method for Quantum Chemistry von Liu, Kuan-Yu, Herbert, John M

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A generalized many-body expansion and a unified view of fragment-based methods in electronic structure theory von Richard, Ryan M, Herbert, John M

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Analytic derivative couplings for spin-flip configuration interaction singles and spin-flip time-dependent density functional theory von Zhang, Xing, Herbert, John M

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Fractional-Electron and Transition-Potential Methods for Core-to-Valence Excitation Energies Using Density Functional Theory von Jana, Subrata, Herbert, John M.

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Pair–Pair Approximation to the Generalized Many-Body Expansion: An Alternative to the Four-Body Expansion for ab Initio Prediction of Protein Energetics via Molecular Fragmentation... von Liu, Jie, Herbert, John M

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A smooth, nonsingular, and faithful discretization scheme for polarizable continuum models: The switching/Gaussian approach von Lange, Adrian W., Herbert, John M.

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Ab Initio Investigation of the Resonance Raman Spectrum of the Hydrated Electron von Dasgupta, Saswata, Rana, Bhaskar, Herbert, John M

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On the accuracy of the general, state-specific polarizable-continuum model for the description of correlated ground- and excited states in solution von Mewes, Jan-Michael, Herbert, John M, Dreuw, Andreas

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Experimental Benchmark Data and Systematic Evaluation of Two a Posteriori, Polarizable-Continuum Corrections for Vertical Excitation Energies in Solution von Mewes, Jan-Michael, You, Zhi-Qiang, Wormit, Michael, Kriesche, Thomas, Herbert, John M, Dreuw, Andreas

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Interaction Energy Analysis of Monovalent Inorganic Anions in Bulk Water Versus Air/Water Interface von Herbert, John M, Paul, Suranjan K

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Both Intra- and Interstrand Charge-Transfer Excited States in Aqueous B-DNA Are Present at Energies Comparable To, or Just Above, the 1ππ Excitonic Bright States von Lange, Adrian W, Herbert, John M

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Spectroscopy and dynamics of the hydrated electron at the water/air interface von Jordan, Caleb J. C., Coons, Marc P., Herbert, John M., Verlet, Jan R. R.

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Optical Spectroscopy of the Bulk and Interfacial Hydrated Electron from Ab Initio Calculations von Uhlig, Frank, Herbert, John M, Coons, Marc P, Jungwirth, Pavel

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Low-Scaling Quantum Chemistry Approach to Excited-State Properties via an ab Initio Exciton Model: Application to Excitation Energy Transfer in a Self-Assembled Nanotube von Morrison, Adrian F, Herbert, John M

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