All Faculty and Research Staff Publications

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2017
Brorsen KR, Yang Y, Pak MV, Hammes-Schiffer S. Is the Accuracy of Density Functional Theory for Atomization Energies and Densities in Bonding Regions Correlated?. Journal of Physical Chemistry Letters. 2017 ;8:2076-2081.
Yang Y, Dominguez A, Zhang D, Lutsker V, Niehaus TA, Frauenheim T, Yang W. Charge transfer excitations from particle-particle random phase approximation-Opportunities and challenges arising from two-electron deficient systems. The Journal of Chemical Physics. 2017 ;146:124104.
Yang Y, Brorsen KR, Culpitt T, Pak MV, Hammes-Schiffer S. Development of a practical multicomponent density functional for electron-proton correlation to produce accurate proton densities. Journal of Chemical Physics. 2017 ;147.
Jin Y, Yang Y, Zhang D, Peng D, Yang W. Excitation energies from particle-particle random phase approximation with accurate optimized effective potentials. Journal of Chemical Physics. 2017 ;147.
Brorsen KR, Yang Y, Hammes-Schiffer S. Multicomponent Density Functional Theory: Impact of Nuclear Quantum Effects on Proton Affinities and Geometries. Journal of Physical Chemistry Letters. 2017 ;8:3488-3493.
Chen Z, Zhang D, Jin Y, Yang Y, Su NQ, Yang W. Multireference Density Functional Theory with Generalized Auxiliary Systems for Ground and Excited States. Journal of Physical Chemistry Letters. 2017 ;8:4479-4485.