Sheng Guo

P<scp>y</scp>SCF: the Python‐based simulations of chemistry framework

Qiming Sun, Timothy C. Berkelbach, Nick S. Blunt et al. · Wiley Interdisciplinary Reviews Computational Molecular Science · 2017 · 1.7K citations · Full text

Natural Sciences, Chemistry, Physics +17

Recent developments in the P<scp>y</scp>SCF program package

Qiming Sun, Xing Zhang, Samragni Banerjee et al. · The Journal of Chemical Physics · 2020 · 1.2K citations · Full text

Natural Sciences, Chemistry, Materials Science +17

Coordination-induced weakening of ammonia, water, and hydrazine X–H bonds in a molybdenum complex

Máté J. Bezdek, Sheng Guo, Paul J. Chirik · Science · 2016 · 242 citations · Full text

Natural Sciences, Chemistry, Crystal Structure +9

<i>N</i>-Electron Valence State Perturbation Theory Based on a Density Matrix Renormalization Group Reference Function, with Applications to the Chromium Dimer and a Trimer Model of Poly(<i>p</i>-Phenylenevinylene)

Sheng Guo, Mark A. Watson, Weifeng Hu et al. · Journal of Chemical Theory and Computation · 2016 · 181 citations · Full text

Natural Sciences, Chemistry, Physics +16

Density matrix renormalization group (DMRG) method as a common tool for large active-space CASSCF/CASPT2 calculations

Naoki Nakatani, Sheng Guo · The Journal of Chemical Physics · 2017 · 94 citations

Natural Sciences, Chemistry, Physics +17