Stability conditions and local minima in multicomponent Hartree-Fock and density functional theory

239. Y. Yang, T. Culpitt, Z. Tao and S. Hammes-Schiffer, “Stability conditions and local minima in multicomponent Hartree-Fock and density functional theory,” J. Chem. Phys. 149, 084105 (2018).

Multicomponent time-dependent density functional theory: Proton and electron excitation energies

236. Y. Yang, T. Culpitt, and S. Hammes-Schiffer, “Multicomponent time-dependent density functional theory: Proton and electron excitation energies,” J. Phys. Chem. Lett. 9, 1765-1770 (2018).

Development of a practical multicomponent density functional for electron-proton correlation to produce accurate proton densities

231. Y. Yang, K. R. Brorsen, T. Culpitt, M. V. Pak, and S. Hammes-Schiffer, “Development of a practical multicomponent density functional for electron-proton correlation to produce accurate proton densities,” J. Chem. Phys. 147, 114113 (2017).

Multicomponent density functional theory: Impact of nuclear quantum effects on proton affinities and geometries

232. K. R. Brorsen, Y. Yang, and S. Hammes-Schiffer, “Multicomponent density functional theory: Impact of nuclear quantum effects on proton affinities and geometries,” J. Phys. Chem. Lett. 8, 3488-3493 (2017).

Is the accuracy of density functional theory for atomization energies and densities in bonding regions correlated?

227. K. R. Brorsen, Y. Yang, M. V. Pak, and S. Hammes-Schiffer, “Is the accuracy of density functional theory for atomization energies and densities in bonding regions correlated?” J. Phys. Chem. Lett. 8, 2076-2081 (2017).