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Journal of Chemical Theory and Computation|December 4, 2019
Systematically Improvable Tensor Hypercontraction: Interpolative Separable Density-Fitting for Molecules Applied to Exact Exchange, Second- and Third-Order Møller-Plesset Perturbation TheoryJoonho Lee, Lin Lin, Martin Head-GordonThe Journal of Chemical Physics|July 1, 2019
Two single-reference approaches to singlet biradicaloid problems: Complex, restricted orbitals and approximate spin-projection combined with regularized orbital-optimized Møller-Plesset perturbation theoryJoonho Lee, Martin Head-GordonJournal of Chemical Theory and Computation|August 22, 2018
Regularized Orbital-Optimized Second-Order Møller-Plesset Perturbation Theory: A Reliable Fifth-Order-Scaling Electron Correlation Model with Orbital Energy Dependent RegularizersJoonho Lee, Martin Head-GordonPhysical Chemistry Chemical Physics : PCCP|February 15, 2019
Distinguishing artificial and essential symmetry breaking in a single determinant: approach and application to the C<sub>60</sub>, C<sub>36</sub>, and C<sub>20</sub> fullerenesJoonho Lee, Martin Head-GordonJournal of Chemical Theory and Computation|August 16, 2023
Even Faster Exact Exchange for Solids via Tensor HypercontractionAdam Rettig, Joonho Lee, Martin Head-GordonThe Journal of Physical Chemistry Letters|July 2, 2019
Third-Order Møller-Plesset Perturbation Theory Made Useful? Choice of Orbitals and Scaling Greatly Improves Accuracy for Thermochemistry, Kinetics, and Intermolecular InteractionsLuke W Bertels, Joonho Lee, Martin Head-GordonJournal of Chemical Theory and Computation|January 6, 2021
Polishing the Gold Standard: The Role of Orbital Choice in CCSD(T) Vibrational Frequency PredictionLuke W Bertels, Joonho Lee, 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 Chemical Physics|November 24, 2019
Making many-body interactions nearly pairwise additive: The polarized many-body expansion approachSrimukh Prasad Veccham, Joonho Lee, Martin Head-GordonPageof 735