☰

yang yang - Publications

Affiliations: 
Duke University, Durham, NC 
Area:
plasmonics
Tree Info Similar researchers PubMed Report error

30 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  0.385
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  0.393
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  0.379
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  0.436
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  0.418
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  0.368
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  0.375
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  0.376
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  0.446
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  0.447
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  0.394
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  0.432
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  0.417
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  0.39
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  0.435
2016 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. 113: E5098-107. PMID 27528690 DOI: 10.1073/Pnas.1606021113  0.338
2016 Yang Y, Shen L, Zhang D, Yang W. Conical Intersections from Particle-Particle Random Phase and Tamm-Dancoff Approximations. The Journal of Physical Chemistry Letters. PMID 27293013 DOI: 10.1021/Acs.Jpclett.6B00936  0.328
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  0.451
2015 Yang Y, Burke K, Yang W. Accurate atomic quantum defects from particle–particle random phase approximation Molecular Physics. 1-10. DOI: 10.1080/00268976.2015.1123316  0.353
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  0.403
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  0.414
2014 Shenvi N, van Aggelen H, Yang Y, Yang W. Tensor hypercontracted ppRPA: reducing the cost of the particle-particle random phase approximation from O(r(6)) to O(r(4)). The Journal of Chemical Physics. 141: 024119. PMID 25028011 DOI: 10.1063/1.4886584  0.309
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  0.397
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  0.423
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  0.422
2013 Zhang Y, Yang Y, Jiang H. 3d-4f magnetic interaction with density functional theory plus u approach: local Coulomb correlation and exchange pathways. Journal of Physical Chemistry A. 117: 13194-13204. PMID 24274078 DOI: 10.1021/Jp4103228  0.322
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  0.384
2013 Shenvi N, van Aggelen H, Yang Y, Yang W, Schwerdtfeger C, Mazziotti D. The tensor hypercontracted parametric reduced density matrix algorithm: coupled-cluster accuracy with O(r(4)) scaling. The Journal of Chemical Physics. 139: 054110. PMID 23927246 DOI: 10.1063/1.4817184  0.325
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  0.423
2010 Peng J, Tang KC, McLoughlin K, Yang Y, Forgach D, Sension RJ. Ultrafast excited-state dynamics and photolysis in base-off B12 coenzymes and analogues: absence of the trans-nitrogenous ligand opens a channel for rapid nonradiative decay. The Journal of Physical Chemistry. B. 114: 12398-405. PMID 20815360 DOI: 10.1021/Jp104641U  0.304
Show low-probability matches.