Projected coupled cluster theory Y Qiu, TM Henderson, J Zhao, GE Scuseria The Journal of Chemical Physics 147 (6), 064111, 2017 | 74 | 2017 |
Polynomial similarity transformation theory: A smooth interpolation between coupled cluster doubles and projected BCS applied to the reduced BCS Hamiltonian M Degroote, TM Henderson, J Zhao, J Dukelsky, GE Scuseria Physical Review B 93 (12), 125124, 2016 | 72 | 2016 |
Tensor-structured coupled cluster theory R Schutski, J Zhao, TM Henderson, GE Scuseria The Journal of Chemical Physics 147 (18), 184113, 2017 | 71 | 2017 |
Ring-locking enables selective anhydrosugar synthesis from carbohydrate pyrolysis L Chen, J Zhao, S Pradhan, BE Brinson, GE Scuseria, ZC Zhang, ... Green Chemistry 18 (20), 5438-5447, 2016 | 42 | 2016 |
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), 054110, 2017 | 40 | 2017 |
DFT study of the structure sensitivity for the adsorption of methyl, methoxy, and formate on Ni (1 1 1), Ni (1 0 0), and Ni (1 1 0) surfaces XY Pang, C Wang, YH Zhou, JM Zhao, GC Wang Journal of Molecular Structure: THEOCHEM 948 (1-3), 1-10, 2010 | 28 | 2010 |
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), 164108, 2018 | 24 | 2018 |
A density functional theory study of ethylene hydrogenation on MgO-and γ-Al 2 O 3-supported carbon-containing Ir 4 clusters K Qi, JM Zhao, GC Wang Physical Chemistry Chemical Physics 17 (7), 4899-4908, 2015 | 22 | 2015 |
Composite fermion-boson mapping for fermionic lattice models J Zhao, CA Jiménez-Hoyos, GE Scuseria, D Huerga, J Dukelsky, ... Journal of Physics: Condensed Matter 26 (45), 455601, 2014 | 8 | 2014 |
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 | 5 | 2017 |
Symbolic solution for computational quantum many-body theory development J Zhao Rice University, 2018 | 4 | 2018 |