Joonho Lee
Başlık
Alıntı yapanlar
Alıntı yapanlar
Yıl
A deterministic alternative to the full configuration interaction quantum Monte Carlo method
NM Tubman, J Lee, TY Takeshita, M Head-Gordon, KB Whaley
The Journal of chemical physics 145 (4), 044112, 2016
1622016
Generalized unitary coupled cluster wave functions for quantum computation
J Lee, WJ Huggins, M Head-Gordon, KB Whaley
Journal of chemical theory and computation 15 (1), 311-324, 2018
1042018
Embedded mean-field theory
ME Fornace*, J Lee*, K Miyamoto*, FR Manby, TF Miller
Journal of Chemical Theory and Computation, 2015
762015
Coupled-cluster valence-bond singles and doubles for strongly correlated systems: Block-tensor based implementation and application to oligoacenes
J Lee, DW Small, E Epifanovsky, M Head-Gordon
Journal of chemical theory and computation 13 (2), 602-615, 2017
512017
Regularized orbital-optimized second-order Møller–Plesset perturbation theory: A reliable fifth-order-scaling electron correlation model with orbital energy dependent regularizers
J Lee, M Head-Gordon
Journal of chemical theory and computation 14 (10), 5203-5219, 2018
422018
A non-orthogonal variational quantum eigensolver
WJ Huggins, J Lee, U Baek, B O’Gorman, KB Whaley
New Journal of Physics 22 (7), 073009, 2020
282020
Two single-reference approaches to singlet biradicaloid problems: Complex, restricted orbitals and approximate spin-projection combined with regularized orbital-optimized …
J Lee, M Head-Gordon
The Journal of chemical physics 150 (24), 244106, 2019
272019
Distinguishing artificial and essential symmetry breaking in a single determinant: Approach and application to the C 60, C 36, and C 20 fullerenes
J Lee, M Head-Gordon
Physical Chemistry Chemical Physics 21 (9), 4763-4778, 2019
272019
QMCPACK: Advances in the development, efficiency, and application of auxiliary field and real-space variational and diffusion quantum Monte Carlo
PRC Kent, A Annaberdiyev, A Benali, MC Bennett, EJ Landinez Borda, ...
The Journal of chemical physics 152 (17), 174105, 2020
262020
Halogen−π Interactions between Benzene and X2/CX4 (X = Cl, Br): Assessment of Various Density Functionals with Respect to CCSD(T)
IS Youn, DY Kim, WJ Cho, JML Madridejos, HM Lee, M Kołaski, J Lee, ...
The Journal of Physical Chemistry A 120 (46), 9305-9314, 2016
242016
Excited states via coupled cluster theory without equation-of-motion methods: Seeking higher roots with application to doubly excited states and double core hole states
J Lee, DW Small, M Head-Gordon
The Journal of chemical physics 151 (21), 214103, 2019
222019
Limit of metastability for liquid and vapor phases of water
WJ Cho, J Kim, J Lee, T Keyes, JE Straub, KS Kim
Physical review letters 112 (15), 157802, 2014
202014
Systematically improvable tensor hypercontraction: Interpolative separable density-fitting for molecules applied to exact exchange, second-and third-order Møller–Plesset …
J Lee, L Lin, M Head-Gordon
Journal of chemical theory and computation 16 (1), 243-263, 2019
162019
Third-Order Møller–Plesset Perturbation Theory Made Useful? Choice of Orbitals and Scaling Greatly Improves Accuracy for Thermochemistry, Kinetics, and Intermolecular Interactions
LW Bertels, J Lee, M Head-Gordon
The journal of physical chemistry letters 10 (15), 4170-4176, 2019
162019
Utilizing Essential Symmetry Breaking in Auxiliary-Field Quantum Monte Carlo: Application to the Spin Gaps of the C36 Fullerene and an Iron Porphyrin Model …
J Lee, FD Malone, MA Morales
Journal of chemical theory and computation 16 (5), 3019-3027, 2020
152020
An auxiliary-Field quantum Monte Carlo perspective on the ground state of the dense uniform electron gas: An investigation with Hartree-Fock trial wavefunctions
J Lee, FD Malone, MA Morales
The Journal of Chemical Physics 151 (6), 064122, 2019
152019
Kohn-sham density functional theory with complex, spin-restricted orbitals: Accessing a new class of densities without the symmetry dilemma
J Lee, LW Bertels, DW Small, M Head-Gordon
Physical review letters 123 (11), 113001, 2019
112019
Open-shell coupled-cluster valence-bond theory augmented with an independent amplitude approximation for three-pair correlations: Application to a model oxygen-evolving complex …
J Lee, DW Small, M Head-Gordon
The Journal of chemical physics 149 (24), 244121, 2018
112018
Host–guest chemistry in the gas phase: complex formation with 18-crown-6 enhances helicity of alanine-based peptides
JY Ko, SW Heo, JH Lee, HB Oh, H Kim, HI Kim
The Journal of Physical Chemistry A 115 (49), 14215-14220, 2011
102011
Virtual distillation for quantum error mitigation
WJ Huggins, S McArdle, TE O'Brien, J Lee, NC Rubin, S Boixo, ...
arXiv preprint arXiv:2011.07064, 2020
92020
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Makaleler 1–20