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The Journal of Chemical Physics|November 30, 2006
Linear scaling density fittingAlex Sodt, Joseph E Subotnik, Martin Head-GordonThe Journal of Chemical Physics|July 2, 2009
Transition state-finding strategies for use with the growing string methodAnthony Goodrow, Alexis T Bell, Martin Head-GordonThe Journal of Physical Chemistry. A|September 10, 2009
Performance of quasi-degenerate scaled opposite spin perturbation corrections to single excitation configuration interaction for excited state structures and excitation energies with application to the Stokes shift of 9-methyl-9,10-dihydro-9-silaphenanthreneYoung Min Rhee, David Casanova, Martin Head-GordonJournal of Chemical Theory and Computation|November 18, 2015
Attenuated MP2 with a Long-Range Dispersion Correction for Treating Nonbonded InteractionsMatthew B Goldey, Bastien Belzunces, Martin Head-GordonJournal of Chemical Theory and Computation|November 27, 2015
Quartic-Scaling Analytical Gradient of Quasidegenerate Scaled Opposite Spin Second-Order Perturbation Corrections to Single Excitation Configuration InteractionYoung Min Rhee, David Casanova, Martin Head-GordonJournal of Chemical Theory and Computation|December 8, 2015
A Resolution-Of-The-Identity Implementation of the Local Triatomics-In-Molecules Model for Second-Order Møller-Plesset Perturbation Theory with Application to Alanine Tetrapeptide Conformational EnergiesRobert A DiStasio, Yousung Jung, Martin Head-GordonThe Journal of Chemical Physics|November 7, 2023
Optimizing the regularization in size-consistent second-order Brillouin-Wigner perturbation theoryKevin Carter-Fenk, James Shee, Martin Head-GordonThe Journal of Chemical Physics|April 10, 2014
Simulations of the dissociation of small helium clusters with ab initio molecular dynamics in electronically excited statesKristina D Closser, Oliver Gessner, Martin Head-GordonJournal of Chemical Theory and Computation|December 12, 2023
Exactly Fragment Additive Breakdown of Polarization for Energy Decomposition Analysis Based on the Self-Consistent Field for Molecular InteractionsHengyuan Shen, Srimukh Prasad Veccham, Martin Head-GordonInorganic Chemistry|April 22, 2008
Interaction of molecular hydrogen with open transition metal centers for enhanced binding in metal-organic frameworks: a computational studyRohini C Lochan, Rustam Z Khaliullin, Martin Head-GordonPageof 45