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Yiheng Qiu
Yiheng Qiu
Postdoc, Department of Physics and Astronomy University of California, Irvine
Dirección de correo verificada de uci.edu
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Projected coupled cluster theory
Y Qiu, TM Henderson, J Zhao, GE Scuseria
The Journal of Chemical Physics 147 (6), 2017
712017
Probing the Electronic Structure and Chemical Bonding in Tricoordinate Uranyl Complexes UO2X3 (X = F, Cl, Br, I): Competition between Coulomb Repulsion …
J Su, PD Dau, YH Qiu, HT Liu, CF Xu, DL Huang, LS Wang, J Li
Inorganic Chemistry 52 (11), 6617-6626, 2013
622013
Particle-number projected Bogoliubov-coupled-cluster theory: Application to the pairing Hamiltonian
Y Qiu, TM Henderson, T Duguet, GE Scuseria
Physical Review C 99 (4), 044301, 2019
522019
On the maximum bond multiplicity of carbon: unusual C≣ U quadruple bonding in molecular CUO
HS Hu, YH Qiu, XG Xiong, WHE Schwarz, J Li
Chemical Science 3 (9), 2786-2796, 2012
492012
Merging symmetry projection methods with coupled cluster theory: Lessons from the Lipkin model Hamiltonian
JM Wahlen-Strothman, TM Henderson, MR Hermes, M Degroote, Y Qiu, ...
The Journal of chemical physics 146 (5), 2017
402017
Projected Hartree-Fock theory as a polynomial of particle-hole excitations and its combination with variational coupled cluster theory
Y Qiu, TM Henderson, GE Scuseria
The Journal of Chemical Physics 146 (18), 2017
332017
Communication: Projected Hartree Fock theory as a polynomial similarity transformation theory of single excitations
Y Qiu, TM Henderson, GE Scuseria
The Journal of Chemical Physics 145 (11), 2016
332016
On the gold–ligand covalency in linear [AuX 2]− complexes
XG Xiong, YL Wang, CQ Xu, YH Qiu, LS Wang, J Li
Dalton Transactions 44 (12), 5535-5546, 2015
302015
Theoretical Studies of Structure and Dynamics of Molten Salts: The LiF–ThF4 System
JB Liu, X Chen, YH Qiu, CF Xu, WHE Schwarz, J Li
The Journal of Physical Chemistry B 118 (48), 13954-13962, 2014
292014
Discontinuous Galerkin discretization for quantum simulation of chemistry
JR McClean, FM Faulstich, Q Zhu, B O’Gorman, Y Qiu, SR White, ...
New Journal of Physics 22 (9), 093015, 2020
232020
Projected coupled cluster theory: Optimization of cluster amplitudes in the presence of symmetry projection
Y Qiu, TM Henderson, J Zhao, GE Scuseria
The Journal of Chemical Physics 149 (16), 2018
212018
Bypassing the energy functional in density functional theory: direct calculation of electronic energies from conditional probability densities
RJ McCarty, D Perchak, R Pederson, R Evans, Y Qiu, SR White, K Burke
Physical Review Letters 125 (26), 266401, 2020
122020
Quadruple bonding of carbon in terminal carbides
YH Qiu, HS Hu, G Chen, J Li
Science China Chemistry 57, 426-434, 2014
112014
Hybrid gausslet/Gaussian basis sets
Y Qiu, SR White
The Journal of Chemical Physics 155 (18), 2021
92021
Spin polynomial similarity transformation for repulsive Hamiltonians: interpolating between coupled cluster and spin-projected unrestricted Hartree–Fock
JA Gomez, M Degroote, J Zhao, Y Qiu, GE Scuseria
Physical Chemistry Chemical Physics 19 (33), 22385-22394, 2017
52017
Conditional probability density functional theory
RJ McCarty, D Perchak, R Pederson, R Evans, Y Qiu, S White, K Burke
APS March Meeting Abstracts 2021, X21. 005, 2021
2021
El sistema no puede realizar la operación en estos momentos. Inténtalo de nuevo más tarde.
Artículos 1–16