Seguir
Yang Yang
Título
Citado por
Citado por
Ano
Nature of ground and electronic excited states of higher acenes
Y Yang, ER Davidson, W Yang
Proceedings of the National Academy of Sciences 113 (35), E5098-E5107, 2016
1722016
Exchange-correlation energy from pairing matrix fluctuation and the particle-particle random-phase approximation
H van Aggelen, Y Yang, W Yang
Physical Review A—Atomic, Molecular, and Optical Physics 88 (3), 030501, 2013
1082013
Multicomponent Density Functional Theory: Impact of Nuclear Quantum Effects on Proton Affinities and Geometries
KR Brorsen, Y Yang, S Hammes-Schiffer
The Journal of Physical Chemistry Letters 8 (15), 3488-3493, 2017
1062017
Development of a Practical Multicomponent Density Functional for Electron-Proton Correlation to Produce Accurate Proton Densities
Y Yang, KR Brorsen, T Culpitt, MV Pak, S Hammes-Schiffer
The Journal of Chemical Physics 147 (11), 114113, 2017
1012017
Is the Accuracy of Density Functional Theory for Atomization Energies and Densities in Bonding Regions Correlated?
KR Brorsen, Y Yang, MV Pak, S Hammes-Schiffer
The Journal of Physical Chemistry Letters 8 (9), 2076-2081, 2017
912017
Double, Rydberg and charge transfer excitations from pairing matrix fluctuation and particle-particle random phase approximation
Y Yang, H van Aggelen, W Yang
The Journal of chemical physics 139 (22), 224105, 2013
772013
Multicomponent Time-Dependent Density Functional Theory: Proton and Electron Excitation Energies
Y Yang, T Culpitt, S Hammes-Schiffer
The journal of physical chemistry letters 9 (7), 1765-1770, 2018
592018
Benchmark tests and spin adaptation for the particle-particle random phase approximation
Y Yang, H van Aggelen, SN Steinmann, D Peng, W Yang
The Journal of chemical physics 139 (17), 174110, 2013
552013
Excitation Energies from Particle-Particle Random Phase Approximation: Davidson Algorithm and Benchmark Studies
Y Yang, D Peng, J Lu, W Yang
The Journal of Chemical Physics 141 (12), 124104, 2014
542014
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
J Peng, KC Tang, K McLoughlin, Y Yang, D Forgach, RJ Sension
The Journal of Physical Chemistry B 114 (38), 12398-12405, 2010
492010
Exchange-correlation energy from pairing matrix fluctuation and the particle-particle random phase approximation
H van Aggelen, Y Yang, W Yang
The Journal of Chemical Physics 140 (18), 18A511, 2014
482014
Singlet–triplet energy gaps for diradicals from particle–particle random phase approximation
Y Yang, D Peng, ER Davidson, W Yang
The Journal of Physical Chemistry A 119 (20), 4923-4932, 2015
472015
Linear-response time-dependent density-functional theory with pairing fields
D Peng, H van Aggelen, Y Yang, W Yang
The Journal of Chemical Physics 140 (18), 18A522, 2014
462014
Multicomponent density functional theory: Including the density gradient in the electron-proton correlation functional for hydrogen and deuterium
Z Tao, Y Yang, S Hammes-Schiffer
The Journal of Chemical Physics 151 (12), 124102, 2019
402019
Enhancing the applicability of multicomponent time-dependent density functional theory
T Culpitt, Y Yang, F Pavošević, Z Tao, S Hammes-Schiffer
The Journal of chemical physics 150 (20), 201101, 2019
342019
Constrained nuclear-electronic orbital density functional theory: Energy surfaces with nuclear quantum effects
X Xu, Y Yang
The Journal of Chemical Physics 152 (8), 084107, 2020
322020
Molecular Vibrational Frequencies within the Nuclear–Electronic Orbital Framework
Y Yang, PE Schneider, T Culpitt, F Pavošević, S Hammes-Schiffer
The journal of physical chemistry letters 10 (6), 1167-1172, 2019
322019
Conical Intersections from Particle–Particle Random Phase and Tamm–Dancoff Approximations
Y Yang, L Shen, D Zhang, W Yang
The journal of physical chemistry letters 7 (13), 2407-2411, 2016
322016
Multireference Density Functional Theory with Generalized Auxiliary Systems for Ground and Excited States
Z Chen, D Zhang, Y Jin, Y Yang, NQ Su, W Yang
The Journal of Physical Chemistry Letters 8 (18), 4479-4485, 2017
262017
Tensor hypercontracted ppRPA: Reducing the cost of the particle-particle random phase approximation from O (r 6) to O (r 4)
N Shenvi, H van Aggelen, Y Yang, W Yang
The Journal of chemical physics 141 (2), 024119, 2014
252014
O sistema não pode executar a operação agora. Tente novamente mais tarde.
Artigos 1–20