M. Loipersberger, L. W. Bertels, J. Lee, and M. Head-Gordon.
Limits of Second- and Third-Order Møller–Plesset Perturbation Theories for
Noncovalent Interactions: Revisiting MP2.5 and Assessing the Importance of
Regularization and Reference Orbitals”.
M. Loipersberger, J. Lee, Y. Mao, A. K. Das, K. Ikeda, J. Thirman, T. Head-Gordon, and M. Head-Gordon.
“Energy Decomposition Analysis for Interactions
of Radicals: Theory and Implementation at the MP2 Level with Application to
Hydration of Halogenated Benzene Cations and Complexes between CO –
Pyridine and Imidazole”.
“Two single-reference approaches to singlet biradicaloid problems: Complex, restricted orbitals and approximate spin-projection
combined with regularized orbital-optimized Møller-Plesset perturbation theory”.
(10) J. Lee, D. Lee, A. Kocherzhenko, L. Greenman, D. T. Finley, M. B. Francis, and
K. B. Whaley.
“Molecular Mechanics Simulations and Improved Tight-binding
Hamiltonians for Artificial Light Harvesting Systems: Predicting Geometric Distributions, Disorder, and Spectroscopy of Chromophores in a Protein Environment”.
“Open-Shell Coupled-Cluster ValenceBond Theory Augmented with an Independent Amplitude Approximation for
Three-Pair Correlations: Application to a Model Oxygen-Evolving Complex and
Single Molecular Magnet”.