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Journal of Chemical Theory and Computation|March 22, 2018
How Accurate Is Density Functional Theory at Predicting Dipole Moments? An Assessment Using a New Database of 200 Benchmark ValuesDiptarka Hait, Martin Head-GordonThe Journal of Chemical Physics|September 3, 2015
An energy decomposition analysis for second-order Møller-Plesset perturbation theory based on absolutely localized molecular orbitalsJonathan Thirman, Martin Head-GordonJournal of Chemical Theory and Computation|November 22, 2015
Characterizing and Understanding the Remarkably Slow Basis Set Convergence of Several Minnesota Density Functionals for Intermolecular Interaction EnergiesNarbe Mardirossian, Martin Head-GordonThe Journal of Physical Chemistry Letters|August 14, 2015
Electrostatic Domination of the Effect of Electron Correlation in Intermolecular InteractionsJonathan Thirman, Martin Head-GordonThe Journal of Chemical Physics|July 2, 2018
Survival of the most transferable at the top of Jacob's ladder: Defining and testing the ωB97M(2) double hybrid density functionalNarbe Mardirossian, Martin Head-GordonThe Journal of Physical Chemistry Letters|January 10, 2020
Highly Accurate Prediction of Core Spectra of Molecules at Density Functional Theory Cost: Attaining Sub-electronvolt Error from a Restricted Open-Shell Kohn-Sham ApproachDiptarka Hait, Martin Head-GordonThe Journal of Chemical Physics|January 7, 2014
Regularized orbital-optimized second-order perturbation theoryDavid Stück, Martin Head-GordonThe Journal of Physical Chemistry. A|June 20, 2024
Occupied-Virtual Orbitals for Chemical Valence with Applications to Charge Transfer in Energy Decomposition AnalysisHengyuan Shen, Martin Head-GordonAngewandte Chemie (International Ed. in English)|September 15, 2023
When Is a Bond Broken? The Polarizability PerspectiveDiptarka Hait, Martin Head-GordonJournal of Chemical Theory and Computation|December 5, 2023
Doubles Connected Moments Expansion: A Tractable Approximate Horn-Weinstein Approach for Quantum ChemistryBrad Ganoe, Martin Head-GordonPageof 735