| 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 | 3239 | 2015 |
| 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 | 1594 | 2018 |
| 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 | 871 | 2020 |
| The density matrix renormalization group in quantum chemistry GKL Chan, S Sharma Annual review of physical chemistry 62 (1), 465-481, 2011 | 832 | 2011 |
| Quantum algorithms for quantum chemistry and quantum materials science B Bauer, S Bravyi, M Motta, GKL Chan Chemical Reviews 120 (22), 12685-12717, 2020 | 778 | 2020 |
| 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 | 778 | 2020 |
| 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 | 695 | 2015 |
| 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 | 651 | 2017 |
| 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 | 631 | 2002 |
| Density matrix embedding: A simple alternative to dynamical mean-field theory G Knizia, GKL Chan Physical review letters 109 (18), 186404, 2012 | 570 | 2012 |
| 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 | 527 | 2007 |
| 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 | 479 | 2018 |
| 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 | 469 | 2010 |
| 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 | 451 | 2018 |
| 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 | 400 | 2015 |
| 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 | 396 | 2008 |
| Reduced-density-matrix mechanics: with application to many-electron atoms and molecules AJ Coleman, M Rosina, DA Mazziotti, RM Erdahl, BJ Braams, JK Percus, ... John Wiley & Sons, Inc. 134, 1-9, 2007 | 363 | 2007 |
| Density matrix embedding: A strong-coupling quantum embedding theory G Knizia, GKL Chan Journal of chemical theory and computation 9 (3), 1428-1432, 2013 | 360 | 2013 |
| 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 | 334 | 2014 |
| Spin-adapted density matrix renormalization group algorithms for quantum chemistry S Sharma, GK Chan The Journal of chemical physics 136 (12), 2012 | 306 | 2012 |
Qiming SunCalifornia Institute of Technology在 caltech.edu 的电子邮件经过验证
