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Garnet Kin-Lic Chan
Garnet Kin-Lic Chan
Division of Chemistry and Chemical Engineering, California Institute of Technology
Verifisert e-postadresse på caltech.edu
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Advances in molecular quantum chemistry contained in the Q-Chem 4 program package
Y Shao, Z Gan, E Epifanovsky, ATB Gilbert, M Wormit, J Kussmann, ...
Molecular Physics 113 (2), 184-215, 2015
32372015
PySCF: the Python‐based simulations of chemistry framework
Q Sun, TC Berkelbach, NS Blunt, GH Booth, S Guo, Z Li, J Liu, ...
Wiley Interdisciplinary Reviews: Computational Molecular Science 8 (1), e1340, 2018
16112018
Recent developments in the PySCF program package
Q Sun, X Zhang, S Banerjee, P Bao, M Barbry, NS Blunt, NA Bogdanov, ...
The Journal of chemical physics 153 (2), 2020
8972020
The density matrix renormalization group in quantum chemistry
GKL Chan, S Sharma
Annual review of physical chemistry 62 (1), 465-481, 2011
8332011
Quantum algorithms for quantum chemistry and quantum materials science
B Bauer, S Bravyi, M Motta, GKL Chan
Chemical reviews 120 (22), 12685-12717, 2020
7952020
Determining eigenstates and thermal states on a quantum computer using quantum imaginary time evolution
M Motta, C Sun, ATK Tan, MJ O’Rourke, E Ye, AJ Minnich, FGSL Brandao, ...
Nature Physics 16 (2), 205-210, 2020
7842020
Solutions of the two-dimensional Hubbard model: Benchmarks and results from a wide range of numerical algorithms
JPF LeBlanc, AE Antipov, F Becca, IW Bulik, GKL Chan, CM Chung, ...
Physical Review X 5 (4), 041041, 2015
6912015
Stripe order in the underdoped region of the two-dimensional Hubbard model
BX Zheng, CM Chung, P Corboz, G Ehlers, MP Qin, RM Noack, H Shi, ...
Science 358 (6367), 1155-1160, 2017
6482017
Highly correlated calculations with a polynomial cost algorithm: A study of the density matrix renormalization group
GKL Chan, M Head-Gordon
The Journal of chemical physics 116 (11), 4462-4476, 2002
6312002
Density matrix embedding: A simple alternative to dynamical mean-field theory
G Knizia, GKL Chan
Physical review letters 109 (18), 186404, 2012
5692012
The radical character of the acenes: A density matrix renormalization group study
J Hachmann, JJ Dorando, M Avilés, GK Chan
The Journal of chemical physics 127 (13), 2007
5322007
Quantum simulation of electronic structure with linear depth and connectivity
ID Kivlichan, J McClean, N Wiebe, C Gidney, A Aspuru-Guzik, GKL Chan, ...
Physical review letters 120 (11), 110501, 2018
4802018
Mechanical control of spin states in spin-1 molecules and the underscreened Kondo effect
JJ Parks, AR Champagne, TA Costi, WW Shum, AN Pasupathy, ...
Science 328 (5984), 1370-1373, 2010
4682010
Low-depth quantum simulation of materials
R Babbush, N Wiebe, J McClean, J McClain, H Neven, GKL Chan
Physical Review X 8 (1), 011044, 2018
4592018
The ab-initio density matrix renormalization group in practice
R Olivares-Amaya, W Hu, N Nakatani, S Sharma, J Yang, GK Chan
The Journal of chemical physics 142 (3), 2015
4032015
Orbital optimization in the density matrix renormalization group, with applications to polyenes and β-carotene
D Ghosh, J Hachmann, T Yanai, GK Chan
The Journal of chemical physics 128 (14), 2008
3992008
Reduced-density-matrix mechanics: with application to many-electron atoms and molecules
AJ Coleman
Reduced-Density-Matrix Mechanics: with applications to many-electron atoms …, 2007
3822007
Density matrix embedding: A strong-coupling quantum embedding theory
G Knizia, GKL Chan
Journal of chemical theory and computation 9 (3), 1428-1432, 2013
3612013
Low-energy spectrum of iron–sulfur clusters directly from many-particle quantum mechanics
S Sharma, K Sivalingam, F Neese, GKL Chan
Nature chemistry 6 (10), 927-933, 2014
3332014
Spin-adapted density matrix renormalization group algorithms for quantum chemistry
S Sharma, GK Chan
The Journal of chemical physics 136 (12), 2012
3092012
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Artikler 1–20