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The Journal of Chemical Physics|January 10, 2013
Electron affinities and ionisation potentials for atoms via "benchmark" tdDFT calculations with and without exchange kernelsTim Gould, John F DobsonPhysical Chemistry Chemical Physics : PCCP|April 19, 2021
Nonlinear light absorption in many-electron systems excited by an instantaneous electric field: a non-perturbative approachAlberto Guandalini, Caterina Cocchi, Stefano Pittalis, et al.Physical Review Letters|August 26, 2022
Excitations of Quantum Many-Body Systems via Purified Ensembles: A Unitary-Coupled-Cluster-Based ApproachCarlos L Benavides-Riveros, Lipeng Chen, Christian Schilling, et al.The Journal of Chemical Physics|August 11, 2020
Understanding real-time time-dependent density-functional theory simulations of ultrafast laser-induced dynamics in organic moleculesJannis Krumland, Ana M Valencia, Stefano Pittalis, et al.Physical Chemistry Chemical Physics : PCCP|April 10, 2024
Deep Mind 21 functional does not extrapolate to transition metal chemistryHeng Zhao, Tim Gould, Stefan VuckovicPhysical Review Letters|July 12, 2024
Spin Currents via the Gauge Principle for Meta-Generalized Gradient Exchange-Correlation FunctionalsJacques K Desmarais, Jefferson Maul, Bartolomeo Civalleri, et al.Journal of Physics. Condensed Matter : an Institute of Physics Journal|October 15, 2013
Dispersion corrections in graphenic systems: a simple and effective model of bindingTim Gould, S Lebègue, John F DobsonJournal of Physics. Condensed Matter : an Institute of Physics Journal|December 17, 2024
Perturbative ensemble density functional theory applied to charge transfer excitationsGil S Amoyal, Leeor Kronik, Tim GouldThe Journal of Comparative Neurology|April 1, 2011
Anatomical and sensory experiential determinants of synaptic plasticity in layer 2/3 pyramidal neurons of mouse barrel cortexNeil R Hardingham, Tim Gould, Kevin FoxBeilstein Journal of Organic Chemistry|July 7, 2018
Are dispersion corrections accurate outside equilibrium? A case study on benzeneTim Gould, Erin R Johnson, Sherif Abdulkader TawfikPageof 8