JS
Jun Shen
physics.chem-phphysics.comp-phcond-mat.mtrl-scicond-mat.str-elElectronsnucl-thQuantum Theory
On Valency
published · living versionsW_ucuuezq3·v1 · currentpublished
Generation and spectroscopic characterization of continuous-wave 148.4-nm light in strontium tetraborate
with Ming Guan, Yang Wang, Heng Tu, Zhengrong Xiao +10
1 version
Preprints & journals
38 papers in the corpus · 1999–2026Double Electron Attachment and Double Ionization Potential Equation-of-Motion Coupled-Cluster Approaches with Full and Active-Space Treatments of 4-Particle-2-Hole and 4-Hole-2-Particle Excitations and Three-Body Clusters2605.20556v2 · Jun Shen, Karthik Gururangan, Piotr Piecuch2026 · 0 citationsChem. Phys. Lett. 896, 142880 (2026)
The Singlet-Triplet Gap of Cyclobutadiene: The CIPSI-Driven CC(P;Q) Study.41364831 · Priyadarsini, Swati S, Gururangan, Karthik, Shen, Jun et al.2025 · 2 citationsThe journal of physical chemistry. A. 2025;129(50):11749-11780
Factors governing H 3 + formation from methyl halogens and pseudohalogens.39762206 · Stamm, Jacob, Priyadarsini, Swati S, Sandhu, Shawn et al.2025 · 12 citationsNature communications. 2025;16(1):410
Extension of the Active-Orbital-Based and Adaptive CC(;) Approaches to Excited Electronic States: Application to Potential Cuts of Water2411.11245v2 · Karthik Gururangan, Jun Shen, Piotr Piecuch2024 · 6 citationsChem. Phys. Lett. 862, 141840 (2025)
The General Atomic and Molecular Electronic Structure System (GAMESS): Novel Methods on Novel Architectures.37793073 · Zahariev, Federico, Xu, Peng, Westheimer, Bryce M et al.2023 · 85 citationsJournal of chemical theory and computation. 2023;19(20):7031-7055
Benchmarking the semi-stochastic CC(P;Q) approach for singlet-triplet gaps in biradicals.36209016 · Chakraborty, Arnab, Yuwono, Stephen H, Deustua, J Emiliano et al.2022 · 8 citationsThe Journal of chemical physics. 2022;157(13):134101
Addressing Strong Correlation by Approximate Coupled-Pair Methods with Active-Space and Full Treatments of Three-Body Clusters2111.13787v1 · Ilias Magoulas, Jun Shen, Piotr Piecuch2021 · 9 citationsMol. Phys. 120, e2057365 (2022)
High-level coupled-cluster energetics by merging moment expansions with selected configuration interaction.34742204 · Gururangan, Karthik, Deustua, J Emiliano, Shen, Jun et al.2021 · 20 citationsThe Journal of chemical physics. 2021;155(17):174114
Internal Conversion between Bright (11Bu+) and Dark (21Ag-) States in s-trans-Butadiene and s-trans-Hexatriene.34590847 · Park, Woojin, Shen, Jun, Lee, Seunghoon et al.2021 · 40 citationsThe journal of physical chemistry letters. 2021;12(39):9720-9729
Is Externally Corrected Coupled Cluster Always Better than the Underlying Truncated Configuration Interaction?2102.10143v2 · Ilias Magoulas, Karthik Gururangan, Piotr Piecuch et al.2021 · 22 citationsJ. Chem. Theory Comput. 17, 4006 (2021)
The Ground State Electronic Energy of Benzene.33022176 · Eriksen, Janus J, Anderson, Tyler A, Deustua, J Emiliano et al.2020 · 149 citationsThe journal of physical chemistry letters. 2020;11(20):8922-8929
Photoluminescence and photochemistry of the defect in hexagonal boron nitride2006.16474v1 · Jeffrey R. Reimers, Jun Shen, Mehran Kianinia et al.2020 · 110 citationsPhys. Rev. B 102, 144105 (2020)
Recent developments in the general atomic and molecular electronic structure system.32321259 · Barca, Giuseppe M J, Bertoni, Colleen, Carrington, Laura et al.2020 · 1,453 citationsThe Journal of chemical physics. 2020;152(15):154102
Accurate excited-state energetics by a combination of Monte Carlo sampling and equation-of-motion coupled-cluster computations.30902012 · Deustua, J Emiliano, Yuwono, Stephen H, Shen, Jun et al.2019 · 36 citationsThe Journal of chemical physics. 2019;150(11):111101
Communication: Approaching exact quantum chemistry by cluster analysis of full configuration interaction quantum Monte Carlo wave functions.30342451 · Deustua, J Emiliano, Magoulas, Ilias, Shen, Jun et al.2018 · 75 citationsThe Journal of chemical physics. 2018;149(15):151101
Application of the CC(P;Q) Hierarchy of Coupled-Cluster Methods to the Beryllium Dimer.29286672 · Magoulas, Ilias, Bauman, Nicholas P, Shen, Jun et al.2018 · 45 citationsThe journal of physical chemistry. A. 2018;122(5):1350-1368
Converging High-Level Coupled-Cluster Energetics by Monte Carlo Sampling and Moment Expansions.29286766 · Deustua, J Emiliano, Shen, Jun, Piecuch, Piotr2018 · 96 citationsPhysical review letters. 2017;119(22):223003
Systematic design of active spaces for multi-reference calculations of singlet-triplet gaps of organic diradicals, with benchmarks against doubly electron-attached coupled-cluster data.29096487 · Stoneburner, Samuel J, Shen, Jun, Ajala, Adeayo O et al.2018 · 36 citationsThe Journal of chemical physics. 2017;147(16):164120
Intricacies of van der Waals Interactions in Systems with Elongated Bonds Revealed by Electron-Groups Embedding and High-Level Coupled-Cluster Approaches.28921975 · Pastorczak, Ewa, Shen, Jun, Hapka, Michał et al.2018 · 21 citationsJournal of chemical theory and computation. 2017;13(11):5404-5419
Economical Doubly Electron-Attached Equation-of-Motion Coupled-Cluster Methods with an Active-Space Treatment of Three-Particle-One-Hole and Four-Particle-Two-Hole Excitations.28409643 · Ajala, Adeayo O, Shen, Jun, Piecuch, Piotr2018 · 23 citationsThe journal of physical chemistry. A. 2017;121(18):3469-3485
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.23697404 · Shen, Jun, Piecuch, Piotr2013 · 98 citationsThe Journal of chemical physics. 2013;138(19):194102
Hybrid coupled cluster methods based on the split virtual orbitals: barrier heights of reactions and spectroscopic constants of open-shell diatomic molecules.23270485 · Kou, Zhuangfei, Shen, Jun, Xu, Enhua et al.2013 · 3 citationsThe journal of physical chemistry. A. 2013;117(3):626-32
Merging Active-Space and Renormalized Coupled-Cluster Methods via the CC(P;Q) Formalism, with Benchmark Calculations for Singlet-Triplet Gaps in Biradical Systems.26593190 · Shen, Jun, Piecuch, Piotr2015 · 67 citationsJournal of chemical theory and computation. 2012;8(12):4968-88
Hybrid coupled cluster methods: combining active space coupled cluster methods with coupled cluster singles, doubles, and perturbative triples.22612078 · Kou, Zhuangfei, Shen, Jun, Xu, Enhua et al.2012 · 7 citationsThe Journal of chemical physics. 2012;136(19):194105
Combining active-space coupled-cluster methods with moment energy corrections via the CC(P;Q) methodology, with benchmark calculations for biradical transition states.22502498 · Shen, Jun, Piecuch, Piotr2012 · 85 citationsThe Journal of chemical physics. 2012;136(14):144104
The coupled cluster singles, doubles, and a hybrid treatment of connected triples based on the split virtual orbitals.22299855 · Shen, Jun, Kou, Zhuangfei, Xu, Enhua et al.2012 · 5 citationsThe Journal of chemical physics. 2012;136(4):044101
New coupled cluster approaches based on the unrestricted Hartree-Fock reference for treating molecules with multireference character.21448471 · Shen, Jun, Xu, Enhua, Kou, Zhuangfei et al.2011 · 17 citationsPhysical chemistry chemical physics : PCCP. 2011;13(19):8795-804
The coupled cluster approach with a hybrid treatment of connected triple excitations based on the restricted Hartree-Fock reference.21280714 · Shen, Jun, Kou, Zhuangfei, Xu, Enhua et al.2011 · 16 citationsThe Journal of chemical physics. 2011;134(4):044134
A coupled cluster approach with a hybrid treatment of connected triple excitations: implementation and applications for open-shell systems.21186857 · Shen, Jun, Kou, Zhuangfei, Xu, Enhua et al.2011 · 16 citationsThe Journal of chemical physics. 2010;133(23):234106
Coupled cluster with singles, doubles, and partial higher-order excitations based on the corresponding orbitals: the formulation and test applications for bond breaking processes.20387924 · Xu, Enhua, Shen, Jun, Kou, Zhuangfei et al.2010 · 13 citationsThe Journal of chemical physics. 2010;132(13):134110
A coupled cluster approach with a hybrid treatment of connected triple excitations for bond-breaking potential energy surfaces.20331289 · Shen, Jun, Xu, Enhua, Kou, Zhuangfei et al.2010 · 24 citationsThe Journal of chemical physics. 2010;132(11):114115
Block correlated coupled cluster method with the complete active-space self-consistent-field reference function: Applications for low-lying electronic excited states.19894992 · Shen, Jun, Li, Shuhua2010 · 31 citationsThe Journal of chemical physics. 2009;131(17):174101
Block correlated coupled cluster method with a complete-active-space self-consistent-field reference function: the implementation for low-lying excited states.19102525 · Fang, Tao, Shen, Jun, Li, Shuhua2009 · 18 citationsThe Journal of chemical physics. 2008;129(23):234106
Performance of block correlated coupled cluster method with the CASSCF reference function for the prediction of activation barriers, spectroscopic constants in diatomic molecules, and singlet-triplet gaps in diradicals.19006279 · Shen, Jun, Fang, Tao, Li, Shuhua et al.2009 · 33 citationsThe journal of physical chemistry. A. 2008;112(48):12518-25
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 multibond breaking systems.18554006 · Fang, Tao, Shen, Jun, Li, Shuhua2008 · 45 citationsThe Journal of chemical physics. 2008;128(22):224107
Spectroscopic constants of single-bond diatomic molecules and singlet-triplet gaps of diradicals by the block-correlated coupled cluster theory.18433169 · Shen, Jun, Fang, Tao, Hua, Weijie et al.2013 · 25 citationsThe journal of physical chemistry. A. 2008;112(20):4703-9
An efficient implementation of the "cluster-in-molecule" approach for local electron correlation calculations.16942324 · Li, Shuhua, Shen, Jun, Li, Wei et al.2007 · 166 citationsThe Journal of chemical physics. 2006;125(7):074109
[Stimulated radiation from high-lying state of Li2 generated with multiphoton in a wide wavelength region].15818988 · Wang, Z, Shen, J2010 · 0 citationsGuang pu xue yu guang pu fen xi = Guang pu. 1999;19(2):145-7
Career total: 58 works. 38 are in this corpus.
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