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The Journal of Chemical Physics|June 4, 2017
Communication: Density functional theory embedding with the orthogonality constrained basis set expansion procedureTanner Culpitt, Kurt R Brorsen, Sharon Hammes-SchifferThe Journal of Chemical Physics|August 1, 2016
Multicomponent density functional theory embedding formulationTanner Culpitt, Kurt R Brorsen, Michael V Pak, et al.The Journal of Chemical Physics|September 24, 2017
Development of a practical multicomponent density functional for electron-proton correlation to produce accurate proton densitiesYang Yang, Kurt R Brorsen, Tanner Culpitt, et al.The Journal of Physical Chemistry Letters|July 8, 2017
Multicomponent Density Functional Theory: Impact of Nuclear Quantum Effects on Proton Affinities and GeometriesKurt R Brorsen, Yang Yang, Sharon Hammes-SchifferJournal of Chemical Theory and Computation|December 12, 2018
Multicomponent Coupled Cluster Singles and Doubles Theory within the Nuclear-Electronic Orbital FrameworkFabijan Pavošević, Tanner Culpitt, Sharon Hammes-SchifferThe Journal of Physical Chemistry Letters|March 20, 2018
Multicomponent Time-Dependent Density Functional Theory: Proton and Electron Excitation EnergiesYang Yang, Tanner Culpitt, Sharon Hammes-SchifferChemical Reviews|April 14, 2020
Multicomponent Quantum Chemistry: Integrating Electronic and Nuclear Quantum Effects via the Nuclear-Electronic Orbital MethodFabijan Pavošević, Tanner Culpitt, Sharon Hammes-SchifferThe Journal of Physical Chemistry. A|December 22, 2016
Calculation of Positron Binding Energies and Electron-Positron Annihilation Rates for Atomic Systems with the Reduced Explicitly Correlated Hartree-Fock Method in the Nuclear-Electronic Orbital FrameworkKurt R Brorsen, Michael V Pak, Sharon Hammes-SchifferThe Journal of Chemical Physics|August 3, 2018
Alternative forms and transferability of electron-proton correlation functionals in nuclear-electronic orbital density functional theoryKurt R Brorsen, Patrick E Schneider, Sharon Hammes-SchifferThe Journal of Chemical Physics|September 9, 2018
Stability conditions and local minima in multicomponent Hartree-Fock and density functional theoryYang Yang, Tanner Culpitt, Zhen Tao, et al.Pageof 35