Garnet Kin-Lic Chan
Garnet Kin-Lic Chan
Division of Chemistry and Chemical Engineering, California Institute of Technology
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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
The density matrix renormalization group in quantum chemistry
GKL Chan, S Sharma
Annual review of physical chemistry 62, 465-481, 2011
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
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
The radical character of the acenes: a density matrix renormalization group study
J Hachmann, JJ Dorando, M Avilés, GKL Chan
The Journal of chemical physics 127 (13), 134309, 2007
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
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
Density matrix embedding: A simple alternative to dynamical mean-field theory
G Knizia, GKL Chan
Physical review letters 109 (18), 186404, 2012
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
Orbital optimization in the density matrix renormalization group, with applications to polyenes and -carotene
D Ghosh, J Hachmann, T Yanai, GKL Chan
The Journal of chemical physics 128 (14), 144117, 2008
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
Entangled quantum electronic wavefunctions of the Mn 4 CaO 5 cluster in photosystem II
Y Kurashige, GKL Chan, T Yanai
Nature chemistry 5 (8), 660-666, 2013
The ab-initio density matrix renormalization group in practice
R Olivares-Amaya, W Hu, N Nakatani, S Sharma, J Yang, GKL Chan
The Journal of chemical physics 142 (3), 034102, 2015
Ab initio determination of the crystalline benzene lattice energy to sub-kilojoule/mole accuracy
J Yang, W Hu, D Usvyat, D Matthews, M Schütz, GKL Chan
Science 345 (6197), 640-643, 2014
Spin-adapted density matrix renormalization group algorithms for quantum chemistry
S Sharma, GKL Chan
The Journal of chemical physics 136 (12), 124121, 2012
Density matrix embedding: A strong-coupling quantum embedding theory
G Knizia, GKL Chan
Journal of chemical theory and computation 9 (3), 1428-1432, 2013
Canonical transformation theory for multireference problems
T Yanai, GKL Chan
The Journal of chemical physics 124 (19), 194106, 2006
Multireference correlation in long molecules with the quadratic scaling density matrix renormalization group
J Hachmann, W Cardoen, GKL Chan
The Journal of chemical physics 125 (14), 144101, 2006
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
State-of-the-art density matrix renormalization group and coupled cluster theory studies of the nitrogen binding curve
GKL Chan, M Kállay, J Gauss
The Journal of chemical physics 121 (13), 6110-6116, 2004
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