Sharma, Sandeep

Article from CaltechAUTHORS

• Lee, Seunghoon and Zhai, Huanchen, el al. (2021) Externally Corrected CCSD with Renormalized Perturbative Triples (R-ecCCSD(T)) and the Density Matrix Renormalization Group and Selected Configuration Interaction External Sources; Journal of Chemical Theory and Computation; Vol. 17; No. 6; 3414-3425; 10.1021/acs.jctc.1c00205
• Eriksen, Janus J. and Anderson, Tyler A., el al. (2020) Ground State Electronic Energy of Benzene; Journal of Physical Chemistry Letters; Vol. 11; No. 20; 8922-8929; 10.1021/acs.jpclett.0c02621
• Williams, Kiel T. and Yao, Yuan, el al. (2020) Direct Comparison of Many-Body Methods for Realistic Electronic Hamiltonians; Physical Review X; Vol. 10; No. 1; Art. No. 011041; 10.1103/PhysRevX.10.011041
• Li, Junhao and Yao, Yuan, el al. (2020) Accurate many-body electronic structure near the basis set limit: Application to the chromium dimer; Physical Review Research; Vol. 2; No. 1; Art. No. 012015; 10.1103/physrevresearch.2.012015
• Sun, Qiming and Berkelbach, Timothy C., el al. (2018) The Python-based Simulations of Chemistry Framework (PySCF); Wiley Interdisciplinary Reviews: Computational Molecular Science; Vol. 8; No. 1; Art. No. e1340; 10.1002/wcms.1340
• Yanai, Takeshi and Saitow, Masaaki, el al. (2017) Multistate Complete-Active-Space Second-Order Perturbation Theory Based on Density Matrix Renormalization Group Reference States; Journal of Chemical Theory and Computation; Vol. 13; No. 10; 4829-4840; 10.1021/acs.jctc.7b00735
• Olivares-Amaya, Roberto and Hu, Weifeng, el al. (2015) The ab-initio density matrix renormalization group in practice; Journal of Chemical Physics; Vol. 142; No. 3; Art. No. 034102; 10.1063/1.4905329
• Shao, Yihan and Gan, Zhengting, el al. (2015) Advances in molecular quantum chemistry contained in the Q-Chem 4 program package; Molecular Physics; Vol. 113; No. 2; 184-215; 10.1080/00268976.2014.952696
• Sharma, Sandeep and Sivalingam, Kantharuban, el al. (2014) Low-energy spectrum of iron–sulfur clusters directly from many-particle quantum mechanics; Nature Chemistry; Vol. 6; No. 10; 927-933; 10.1038/nchem.2041
• Sharma, Sandeep and Chan, Garnet Kin-Lic (2014) Communication: A flexible multi-reference perturbation theory by minimizing the Hylleraas functional with matrix product states; Journal of Chemical Physics; Vol. 141; No. 11; Art. No. 111101; 10.1063/1.4895977
• Chen, Qiaoni and Booth, George H., el al. (2014) Intermediate and spin-liquid phase of the half-filled honeycomb Hubbard model; Physical Review B; Vol. 89; No. 16; Art. No. 165134; 10.1103/PhysRevB.89.165134
• Sharma, Sandeep and Yanai, Takeshi, el al. (2014) Spectroscopic accuracy directly from quantum chemistry: Application to ground and excited states of beryllium dimer; Journal of Chemical Physics; Vol. 140; No. 10; Art. No. 104112; 10.1063/1.4867383
• Sharma, Sandeep and Chan, Garnet Kin-Lic (2012) Spin-adapted density matrix renormalization group algorithms for quantum chemistry; Journal of Chemical Physics; Vol. 136; No. 12; Art. No. 124121; 10.1063/1.3695642
• Chan, Garnet Kin-Lic and Sharma, Sandeep (2011) The Density Matrix Renormalization Group in Quantum Chemistry; Annual Review of Physical Chemistry; Vol. 62; 465-481; 10.1146/annurev-physchem-032210-103338