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The Journal of Chemical Physics|October 17, 2017
Compressed representation of dispersion interactions and long-range electronic correlationsJérôme F Gonthier, Martin Head-GordonProceedings of the National Academy of Sciences of the United States of America|November 22, 2017
Energy decomposition analysis of single bonds within Kohn-Sham density functional theoryDaniel S Levine, Martin Head-GordonThe Journal of Chemical Physics|August 27, 2005
A local correlation model that yields intrinsically smooth potential-energy surfacesJoseph E Subotnik, Martin Head-GordonJournal of the American Chemical Society|October 19, 2006
Charge penetration and the origin of large O-H vibrational red-shifts in hydrated-electron clusters, (H2O)n-John M Herbert, Martin Head-GordonThe Journal of Physical Chemistry. A|August 6, 2010
Ab initio calculations on the electronically excited states of small helium clustersKristina D Closser, Martin Head-GordonThe Journal of Chemical Physics|June 20, 2023
Repartitioned Brillouin-Wigner perturbation theory with a size-consistent second-order correlation energyKevin Carter-Fenk, Martin Head-GordonJournal of the American Chemical Society|March 5, 2008
A delicate electronic balance between metal and ligand in [Cu-P-Cu-P] diamondoids: oxidation state dependent plasticity and the formation of a singlet diradicaloidYoung Min Rhee, Martin Head-GordonThe Journal of Chemical Physics|March 5, 2008
Systematic optimization of long-range corrected hybrid density functionalsJeng-Da Chai, Martin Head-GordonThe Journal of Physical Chemistry. A|February 12, 2008
A study of the effect of attenuation curvature on molecular correlation energies by introducing an explicit cutoff radius into two-electron integralsAnthony D Dutoi, Martin Head-GordonThe Journal of Chemical Physics|October 5, 2010
A truncation hierarchy of coupled cluster models of strongly correlated systems based on perfect-pairing references: the singles+doubles modelsJohn A Parkhill, Martin Head-GordonPageof 45