| Recent developments in the general atomic and molecular electronic structure system GMJ Barca, C Bertoni, L Carrington, D Datta, N De Silva, JE Deustua, ... The Journal of chemical physics 152 (15), 2020 | 1000 | 2020 |
| An efficient implementation of the “cluster-in-molecule” approach for local electron correlation calculations S Li, J Shen, W Li, Y Jiang The Journal of chemical physics 125 (7), 2006 | 179 | 2006 |
| The ground state electronic energy of benzene JJ Eriksen, TA Anderson, JE Deustua, K Ghanem, D Hait, MR Hoffmann, ... The journal of physical chemistry letters 11 (20), 8922-8929, 2020 | 139 | 2020 |
| Converging high-level coupled-cluster energetics by Monte Carlo sampling and moment expansions JE Deustua, J Shen, P Piecuch Physical review letters 119 (22), 223003, 2017 | 100 | 2017 |
| Doubly electron-attached and doubly ionized equation-of-motion coupled-cluster methods with 4-particle–2-hole and 4-hole–2-particle excitations and their active-space extensions J Shen, P Piecuch The Journal of chemical physics 138 (19), 2013 | 95 | 2013 |
| Biorthogonal moment expansions in coupled-cluster theory: Review of key concepts and merging the renormalized and active-space coupled-cluster methods J Shen, P Piecuch Chemical Physics 401, 180-202, 2012 | 89 | 2012 |
| Photoluminescence, photophysics, and photochemistry of the defect in hexagonal boron nitride JR Reimers, J Shen, M Kianinia, C Bradac, I Aharonovich, MJ Ford, ... Physical Review B 102 (14), 144105, 2020 | 87 | 2020 |
| Communication: Approaching exact quantum chemistry by cluster analysis of full configuration interaction quantum Monte Carlo wave functions JE Deustua, I Magoulas, J Shen, P Piecuch The Journal of Chemical Physics 149 (15), 2018 | 84 | 2018 |
| Combining active-space coupled-cluster methods with moment energy corrections via the CC (P; Q) methodology, with benchmark calculations for biradical transition states J Shen, P Piecuch The Journal of chemical physics 136 (14), 2012 | 81 | 2012 |
| Merging Active-Space and Renormalized Coupled-Cluster Methods via the CC(P;Q) Formalism, with Benchmark Calculations for Singlet–Triplet Gaps in Biradical … J Shen, P Piecuch Journal of Chemical Theory and Computation 8 (12), 4968-4988, 2012 | 66 | 2012 |
| Block correlated coupled cluster method with a complete-active-space self-consistent-field reference function: The formula for general active spaces and its applications for … T Fang, J Shen, S Li The Journal of chemical physics 128 (22), 2008 | 55 | 2008 |
| Combining active-space coupled-cluster approaches with moment energy corrections via the CC(P;Q) methodology: connected quadruple excitations NP Bauman, J Shen, P Piecuch Molecular Physics 115 (21-22), 2860-2891, 2017 | 49 | 2017 |
| Performance of Block Correlated Coupled Cluster Method with the CASSCF Reference Function for the Prediction of Activation Barriers, Spectroscopic Constants in Diatomic … J Shen, T Fang, S Li, Y Jiang The Journal of Physical Chemistry A 112 (48), 12518-12525, 2008 | 44 | 2008 |
| Geometries, Binding Energies, Ionization Potentials, and Electron Affinities of Metal Clusters: Mgn0, ± 1, n = 1–7 K Duanmu, O Roberto-Neto, FBC Machado, JA Hansen, J Shen, ... The Journal of Physical Chemistry C 120 (24), 13275-13286, 2016 | 42 | 2016 |
| Application of the CC(P;Q) Hierarchy of Coupled-Cluster Methods to the Beryllium Dimer I Magoulas, NP Bauman, J Shen, P Piecuch The Journal of Physical Chemistry A 122 (5), 1350-1368, 2018 | 41 | 2018 |
| Accurate excited-state energetics by a combination of Monte Carlo sampling and equation-of-motion coupled-cluster computations JE Deustua, SH Yuwono, J Shen, P Piecuch The Journal of chemical physics 150 (11), 2019 | 37 | 2019 |
| Block correlated coupled cluster method with the complete active-space self-consistent-field reference function: Applications for low-lying electronic excited states J Shen, S Li The Journal of chemical physics 131 (17), 2009 | 37 | 2009 |
| Doubly electron-attached and doubly ionised equation-of-motion coupled-cluster methods with full and active-space treatments of 4-particle–2-hole and 4-hole–2-particle … J Shen, P Piecuch Molecular Physics 112 (5-6), 868-885, 2014 | 33 | 2014 |
| Systematic design of active spaces for multi-reference calculations of singlet–triplet gaps of organic diradicals, with benchmarks against doubly electron-attached coupled … SJ Stoneburner, J Shen, AO Ajala, P Piecuch, DG Truhlar, L Gagliardi The Journal of chemical physics 147 (16), 2017 | 31 | 2017 |
| Spectroscopic constants of single-bond diatomic molecules and singlet− triplet gaps of diradicals by the block-correlated coupled cluster theory J Shen, T Fang, W Hua, S Li The Journal of Physical Chemistry A 112 (20), 4703-4709, 2008 | 29 | 2008 |
Piotr PiecuchUniversity Distinguished Professor and MSU Research Foundation Professor, Michigan State University在 chemistry.msu.edu 的电子邮件经过验证
Piotr PiecuchUniversity Distinguished Professor and MSU Research Foundation Professor, Michigan State University在 chemistry.msu.edu 的电子邮件经过验证