yang yang
Affiliations: | Duke University, Durham, NC |
Area:
plasmonicsGoogle:
"yang yang"Mean distance: 13552
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Publications
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| Xu X, Yang Y. (2020) Full-quantum descriptions of molecular systems from constrained nuclear-electronic orbital density functional theory. The Journal of Chemical Physics. 153: 074106 |
| Xu X, Yang Y. (2020) Constrained nuclear-electronic orbital density functional theory: Energy surfaces with nuclear quantum effects. The Journal of Chemical Physics. 152: 084107 |
| Culpitt T, Yang Y, Schneider PE, et al. (2019) Molecular Vibrational Frequencies with Multiple Quantum Protons within the Nuclear-Electronic Orbital Framework. Journal of Chemical Theory and Computation |
| Tao Z, Yang Y, Hammes-Schiffer S. (2019) Multicomponent density functional theory: Including the density gradient in the electron-proton correlation functional for hydrogen and deuterium. The Journal of Chemical Physics. 151: 124102 |
| Culpitt T, Yang Y, Pavošević F, et al. (2019) Enhancing the applicability of multicomponent time-dependent density functional theory. The Journal of Chemical Physics. 150: 201101 |
| Yang Y, Schneider PE, Culpitt T, et al. (2019) Molecular Vibrational Frequencies within the Nuclear-Electronic Orbital Framework. The Journal of Physical Chemistry Letters |
| Yang Y, Culpitt T, Tao Z, et al. (2018) Stability conditions and local minima in multicomponent Hartree-Fock and density functional theory. The Journal of Chemical Physics. 149: 084105 |
| Sutton C, Yang Y, Zhang D, et al. (2018) Single, Double Electronic Excitations and Exciton Effective Conjugation Lengths in π-conjugated Systems. The Journal of Physical Chemistry Letters |
| Yang Y, Culpitt T, Hammes-Schiffer S. (2018) Multicomponent Time-Dependent Density Functional Theory: Proton and Electron Excitation Energies. The Journal of Physical Chemistry Letters |
| Jin Y, Yang Y, Zhang D, et al. (2017) Excitation energies from particle-particle random phase approximation with accurate optimized effective potentials. The Journal of Chemical Physics. 147: 134105 |