Garnet Kin-Lic Chan
Garnet Kin-Lic Chan
Division of Chemistry and Chemical Engineering, California Institute of Technology
Verifierad e-postadress 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
21262015
The density matrix renormalization group in quantum chemistry
GKL Chan, S Sharma
Annual review of physical chemistry 62, 465-481, 2011
5342011
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
4972018
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
4812002
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
4362007
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
3832010
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
3642015
Density matrix embedding: A simple alternative to dynamical mean-field theory
G Knizia, GKL Chan
Physical review letters 109 (18), 186404, 2012
3332012
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
303*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
2942008
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
2782017
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
2322015
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
2302013
Density matrix embedding: A strong-coupling quantum embedding theory
G Knizia, GKL Chan
Journal of chemical theory and computation 9 (3), 1428-1432, 2013
2222013
Spin-adapted density matrix renormalization group algorithms for quantum chemistry
S Sharma, GKL Chan
The Journal of chemical physics 136 (12), 124121, 2012
2222012
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
2182014
Canonical transformation theory for multireference problems
T Yanai, GKL Chan
The Journal of chemical physics 124 (19), 194106, 2006
2082006
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
2032014
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
1992006
An algorithm for large scale density matrix renormalization group calculations
GKL Chan
The Journal of chemical physics 120 (7), 3172-3178, 2004
1912004
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Artiklar 1–20