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Journal of Chemical Theory and Computation|August 3, 2018
Optimized Pair Natural Orbitals for the Coupled Cluster MethodsMarjory C Clement, Jinmei Zhang, Cannada A Lewis, et al.The Journal of Chemical Physics|October 27, 2016
Monte Carlo explicitly correlated second-order many-body perturbation theoryCole M Johnson, Alexander E Doran, Jinmei Zhang, et al.The Journal of Chemical Physics|April 1, 2023
SparseMaps-A systematic infrastructure for reduced-scaling electronic structure methods. VI. Linear-scaling explicitly correlated N-electron valence state perturbation theory with pair natural orbitalYang Guo, Fabijan Pavošević, Kantharuban Sivalingam, et al.Journal of Chemical Theory and Computation|November 3, 2023
Cluster-in-Molecule Approach with Explicitly Correlated Methods for Large MoleculesYuqi Wang, Yang Guo, Frank Neese, et al.Journal of the American Chemical Society|July 27, 2006
Effect of electronic polarization on charge-transport parameters in molecular organic semiconductorsEdward F Valeev, Veaceslav Coropceanu, Demetrio A da Silva Filho, et al.Journal of Chemical Theory and Computation|October 4, 2023
Direct Determination of Optimal Real-Space Orbitals for Correlated Electronic Structure of MoleculesEdward F Valeev, Robert J Harrison, Adam A Holmes, et al.Journal of Chemical Theory and Computation|June 10, 2016
Spin-Free [2]R12 Basis Set Incompleteness Correction to the Local Multireference Configuration Interaction and the Local Multireference Average Coupled Pair Functional MethodsLuke B Roskop, Edward F Valeev, Emily A Carter, et al.The Journal of Physical Chemistry. A|August 15, 2025
Chemist: A Domain-Specific Language by Chemists for ChemistsJonathan M Waldrop, Wibe de Jong, Edward F Valeev, et al.The Journal of Physical Chemistry. A|April 23, 2024
Dirac-Coulomb-Breit Molecular Mean-Field Exact-Two-Component Relativistic Equation-of-Motion Coupled-Cluster TheoryTianyuan Zhang, Samragni Banerjee, Lauren N Koulias, et al.The Journal of Physical Chemistry. A|December 10, 2019
Combined Relativistic Ab Initio Multireference and Experimental Study of the Electronic Structure of Terbium Luminescent CompoundChun-Xiang Wang, Yong Li, Zhi-Feng Li, et al.Pageof 9