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Chemical Science|July 19, 2024
Identifying and embedding transferability in data-driven representations of chemical spaceTim Gould, Bun Chan, Stephen G Dale, et al.Journal of Chemical Theory and Computation|December 14, 2016
A Fractionally Ionic Approach to Polarizability and van der Waals Many-Body Dispersion CalculationsTim Gould, Sébastien Lebègue, János G Ángyán, et al.Journal of Physics. Condensed Matter : an Institute of Physics Journal|January 13, 2016
Many-body dispersion corrections for periodic systems: an efficient reciprocal space implementationTomáš Bučko, Sébastien Lebègue, Tim Gould, et al.Physical Review Letters|June 23, 2025
State-Specific Density Functionals for Excited States via a Density-Driven Correlation ModelTim Gould, Stephen G Dale, Leeor Kronik, et al.The Journal of Physical Chemistry Letters|March 10, 2022
Single Excitation Energies Obtained from the Ensemble "HOMO-LUMO Gap": Exact Results and ApproximationsTim Gould, Zahed Hashimi, Leeor Kronik, et al.Physical Chemistry Chemical Physics : PCCP|September 7, 2019
Asymptotic behavior of the Hartree-exchange and correlation potentials in ensemble density functional theoryTim Gould, Stefano Pittalis, Julien Toulouse, et al.Journal of Chemical Theory and Computation|November 8, 2017
Casimir-Polder Size Consistency: A Constraint Violated by Some Dispersion TheoriesTim Gould, Julien Toulouse, János G Ángyán, et al.Proceedings of the National Academy of Sciences of the United States of America|October 18, 2018
Faraday cage screening reveals intrinsic aspects of the van der Waals attractionMusen Li, Jeffrey R Reimers, John F Dobson, et al.Physical Review Letters|March 24, 2023
Electronic Excited States in Extreme Limits via Ensemble Density FunctionalsTim Gould, Derk P Kooi, Paola Gori-Giorgi, et al.The Journal of Chemical Physics|June 7, 2012
Quantum continuum mechanics made simpleTim Gould, Georg Jansen, I V Tokatly, et al.Pageof 7