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The Journal of Chemical Physics|August 21, 2007
Correction to constrained coupled cluster doubles models based on the second coupled cluster central momentDavid W Small, Martin Head-GordonThe Journal of Chemical Physics|July 17, 2017
Coupled cluster valence bond theory for open-shell systems with application to very long range strong correlation in a polycarbene dimerDavid W Small, Martin Head-GordonThe Journal of Chemical Physics|March 5, 2009
Tractable spin-pure methods for bond breaking: Local many-electron spin-vector sets and an approximate valence bond modelDavid W Small, Martin Head-GordonThe Journal of Chemical Physics|September 25, 2012
A fusion of the closed-shell coupled cluster singles and doubles method and valence-bond theory for bond breakingDavid W Small, Martin Head-GordonPhysical Chemistry Chemical Physics : PCCP|August 19, 2011
Post-modern valence bond theory for strongly correlated electron spinsDavid W Small, Martin Head-GordonThe Journal of Chemical Physics|October 15, 2018
Independent amplitude approximations in coupled cluster valence bond theory: Incorporation of 3-electron-pair correlation and application to spin frustration in the low-lying excited states of a ferredoxin-type tetrametallic iron-sulfur clusterDavid W Small, Martin Head-GordonThe Journal of Chemical Physics|December 12, 2019
Excited states via coupled cluster theory without equation-of-motion methods: Seeking higher roots with application to doubly excited states and double core hole statesJoonho Lee, David W Small, Martin Head-GordonThe Journal of Chemical Physics|January 3, 2019
Open-shell coupled-cluster valence-bond theory augmented with an independent amplitude approximation for three-pair correlations: Application to a model oxygen-evolving complex and single molecular magnetJoonho Lee, David W Small, Martin Head-GordonThe Journal of Physical Chemistry. A|February 10, 2010
Orbitals that are unrestricted in active pairs for generalized valence bond coupled cluster methodsKeith V Lawler, David W Small, Martin Head-GordonJournal of Chemical Theory and Computation|November 19, 2015
Coupled Cluster Valence Bond Method: Efficient Computer Implementation and Application to Multiple Bond Dissociations and Strong Correlations in the AcenesDavid W Small, Keith V Lawler, Martin Head-GordonPageof 45