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The Journal of Chemical Physics|March 25, 2014
Non-orthogonal configuration interaction for the calculation of multielectron excited statesEric J Sundstrom, Martin Head-GordonThe Journal of Chemical Physics|January 17, 2015
Restricted Hartree Fock using complex-valued orbitals: a long-known but neglected tool in electronic structure theoryDavid W Small, Eric J Sundstrom, Martin Head-GordonThe Journal of Chemical Physics|March 10, 2015
A simple way to test for collinearity in spin symmetry broken wave functions: general theory and application to generalized Hartree FockDavid W Small, Eric J Sundstrom, Martin Head-GordonPhysical Chemistry Chemical Physics : PCCP|December 22, 2009
LOBA: a localized orbital bonding analysis to calculate oxidation states, with application to a model water oxidation catalystAlex J W Thom, Eric J Sundstrom, Martin Head-GordonThe Journal of Physical Chemistry. A|March 14, 2009
Degree of initial hole localization/delocalization in ionized water clustersPiotr A Pieniazek, Eric J Sundstrom, Stephen E Bradforth, et al.Physical Chemistry Chemical Physics : PCCP|September 19, 2014
Spin-flip non-orthogonal configuration interaction: a variational and almost black-box method for describing strongly correlated moleculesNicholas J Mayhall, Paul R Horn, Eric J Sundstrom, et al.Journal of the American Chemical Society|February 24, 2012
Computational and experimental study of the mechanism of hydrogen generation from water by a molecular molybdenum-oxo electrocatalystEric J Sundstrom, Xinzheng Yang, V Sara Thoi, et al.The Journal of Chemical Physics|September 2, 2021
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 packageEvgeny Epifanovsky, Andrew T B Gilbert, Xintian Feng, et al.Pageof 1