Multicomponent density functional theory embedding formulation

212. T. Culpitt, K. R. Brorsen, M. V. Pak, and S. Hammes-Schiffer, “Multicomponent density functional theory embedding formulation,” J. Chem. Phys. 145, 044106 (2016).

Nuclear-electronic orbital reduced explicitly correlated Hartree-Fock approach: Restricted basis sets and open-shell systems

193. K. R. Brorsen, A. Sirjoosingh, M. V. Pak, and S. Hammes-Schiffer, “Nuclear-electronic orbital reduced explicitly correlated Hartree-Fock approach: Restricted basis sets and open-shell systems,” J. Chem. Phys. 142, 214108 (2015).

Quantum treatment of protons with the reduced explicitly correlated Hartree-Fock approach

192. A. Sirjoosingh, M. V. Pak, K. R. Brorsen, and S. Hammes-Schiffer, “Quantum treatment or protons with the reduced explicitly correlated Hartree Fock approach,” J. Chem. Phys. 142, 214107 (2015).