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yang yang - Publications

Affiliations: 
Duke University, Durham, NC 
Area:
plasmonics
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23 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2020 Xu X, Yang Y. Full-quantum descriptions of molecular systems from constrained nuclear-electronic orbital density functional theory. The Journal of Chemical Physics. 153: 074106. PMID 32828104 DOI: 10.1063/5.0014001  0.312
2020 Xu X, Yang Y. Constrained nuclear-electronic orbital density functional theory: Energy surfaces with nuclear quantum effects. The Journal of Chemical Physics. 152: 084107. PMID 32113355 DOI: 10.1063/1.5143371  0.317
2019 Culpitt T, Yang Y, Schneider PE, Pavosevic F, Hammes-Schiffer S. Molecular Vibrational Frequencies with Multiple Quantum Protons within the Nuclear-Electronic Orbital Framework. Journal of Chemical Theory and Computation. PMID 31618582 DOI: 10.1021/Acs.Jctc.9B00665  0.31
2019 Tao Z, Yang Y, Hammes-Schiffer S. 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. PMID 31575164 DOI: 10.1063/1.5119124  0.345
2019 Culpitt T, Yang Y, Pavošević F, Tao Z, Hammes-Schiffer S. Enhancing the applicability of multicomponent time-dependent density functional theory. The Journal of Chemical Physics. 150: 201101. PMID 31153172 DOI: 10.1063/1.5099093  0.333
2019 Yang Y, Schneider PE, Culpitt T, Pavosevic F, Hammes-Schiffer S. Molecular Vibrational Frequencies within the Nuclear-Electronic Orbital Framework. The Journal of Physical Chemistry Letters. PMID 30776246 DOI: 10.1021/Acs.Jpclett.9B00299  0.303
2018 Yang Y, Culpitt T, Tao Z, Hammes-Schiffer S. Stability conditions and local minima in multicomponent Hartree-Fock and density functional theory. The Journal of Chemical Physics. 149: 084105. PMID 30193501 DOI: 10.1063/1.5040353  0.309
2018 Sutton C, Yang Y, Zhang D, Yang W. Single, Double Electronic Excitations and Exciton Effective Conjugation Lengths in π-conjugated Systems. The Journal of Physical Chemistry Letters. PMID 29939751 DOI: 10.1021/Acs.Jpclett.8B01366  0.31
2018 Yang Y, Culpitt T, Hammes-Schiffer S. Multicomponent Time-Dependent Density Functional Theory: Proton and Electron Excitation Energies. The Journal of Physical Chemistry Letters. PMID 29553738 DOI: 10.1021/Acs.Jpclett.8B00547  0.351
2017 Jin Y, Yang Y, Zhang D, Peng D, Yang W. Excitation energies from particle-particle random phase approximation with accurate optimized effective potentials. The Journal of Chemical Physics. 147: 134105. PMID 28987104 DOI: 10.1063/1.4994827  0.349
2017 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. The Journal of Chemical Physics. 147: 114113. PMID 28938833 DOI: 10.1063/1.4996038  0.317
2017 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. The Journal of Physical Chemistry Letters. PMID 28857560 DOI: 10.1021/Acs.Jpclett.7B01864  0.343
2017 Brorsen KR, Yang Y, Hammes-Schiffer S. Multicomponent Density Functional Theory: Impact of Nuclear Quantum Effects on Proton Affinities and Geometries. The Journal of Physical Chemistry Letters. PMID 28686449 DOI: 10.1021/Acs.Jpclett.7B01442  0.336
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? The Journal of Physical Chemistry Letters. PMID 28421759 DOI: 10.1021/Acs.Jpclett.7B00774  0.317
2017 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. 146: 124104. PMID 28388105 DOI: 10.1063/1.4977928  0.347
2015 Yang Y, Peng D, Davidson ER, Yang W. Singlet-triplet energy gaps for diradicals from particle-particle random phase approximation. The Journal of Physical Chemistry. A. 119: 4923-32. PMID 25891638 DOI: 10.1021/Jp512727A  0.356
2014 Peng D, Yang Y, Zhang P, Yang W. Restricted second random phase approximations and Tamm-Dancoff approximations for electronic excitation energy calculations. The Journal of Chemical Physics. 141: 214102. PMID 25481124 DOI: 10.1063/1.4901716  0.323
2014 Yang Y, Peng D, Lu J, Yang W. Excitation energies from particle-particle random phase approximation: Davidson algorithm and benchmark studies. The Journal of Chemical Physics. 141: 124104. PMID 25273409 DOI: 10.1063/1.4895792  0.335
2014 Peng D, van Aggelen H, Yang Y, Yang W. Linear-response time-dependent density-functional theory with pairing fields. The Journal of Chemical Physics. 140: 18A522. PMID 24832330 DOI: 10.1063/1.4867540  0.322
2014 van Aggelen H, Yang Y, Yang W. Exchange-correlation energy from pairing matrix fluctuation and the particle-particle random phase approximation. The Journal of Chemical Physics. 140: 18A511. PMID 24832319 DOI: 10.1063/1.4865816  0.339
2013 Yang Y, van Aggelen H, Yang W. Double, Rydberg and charge transfer excitations from pairing matrix fluctuation and particle-particle random phase approximation. The Journal of Chemical Physics. 139: 224105. PMID 24329054 DOI: 10.1063/1.4834875  0.333
2013 Yang Y, van Aggelen H, Steinmann SN, Peng D, Yang W. Benchmark tests and spin adaptation for the particle-particle random phase approximation. The Journal of Chemical Physics. 139: 174110. PMID 24206290 DOI: 10.1063/1.4828728  0.316
2013 Aggelen Hv, Yang Y, Yang W. Exchange-correlation energy from pairing matrix fluctuation and the particle-particle random-phase approximation Physical Review A. 88: 30501. DOI: 10.1103/Physreva.88.030501  0.34
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