All Faculty and Research Staff Publications

Export 12 results:
Filters: Author is Y Yang  [Clear All Filters]
A B C D E F G H I J K L M N O P Q R S T U V W X Y Z 
Y
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.
Yang Y, Burke K, Yang W. Accurate atomic quantum defects from particle-particle random phase approximation. Molecular Physics. 2016 ;114:1189-1198.
Yang Y, Culpitt T, Hammes-Schiffer S. Multicomponent Time-Dependent Density Functional Theory: Proton and Electron Excitation Energies. Journal of Physical Chemistry Letters. 2018 ;9:1765-1770.
Yang Y, Culpitt T, Tao Z, Hammes-Schiffer S. Stability conditions and local minima in multicomponent Hartree-Fock and density functional theory. Journal of Chemical Physics. 2018 ;149.
Yang Y, Davidson ER, Yang W. Nature of ground and electronic excited states of higher acenes. Proceedings of the National Academy of Sciences of the United States of America. 2016 ;113:E5098-E5107.
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, Peng D, Davidson ER, Yang W. Singlet-triplet energy gaps for diradicals from particle-particle random phase approximation. Journal of Physical Chemistry A. 2015 ;119:4923-4932.
Yang Y, Peng D, Lu J, Yang W. Excitation energies from particle-particle random phase approximation: Davidson algorithm and benchmark studies. Journal of Chemical Physics. 2014 ;141.
Yang Y, Schneider PE, Culpitt T, Pavošević F, Hammes-Schiffer S. Molecular Vibrational Frequencies within the Nuclear-Electronic Orbital Framework. Journal of Physical Chemistry Letters. 2019 ;10:1167-1172.
Yang Y, Shen L, Zhang D, Yang W. Conical Intersections from Particle-Particle Random Phase and Tamm-Dancoff Approximations. Journal of Physical Chemistry Letters. 2016 ;7:2407-2411.
Yang Y, Van Aggelen H, Steinmann SN, Peng D, Yang W. Benchmark tests and spin adaptation for the particle-particle random phase approximation. Journal of Chemical Physics. 2013 ;139.
Yang Y, Van Aggelen H, Yang W. Double, Rydberg and charge transfer excitations from pairing matrix fluctuation and particle-particle random phase approximation. Journal of Chemical Physics. 2013 ;139.