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The Journal of Chemical Physics|November 7, 2021
Challenges for variational reduced-density-matrix theory with three-particle N-representability conditionsRun R Li, Marcus D Liebenthal, A Eugene DePrinceThe Journal of Chemical Physics|February 9, 2022
Equation-of-motion cavity quantum electrodynamics coupled-cluster theory for electron attachmentMarcus D Liebenthal, Nam Vu, A Eugene DePrinceThe Journal of Physical Chemistry. A|June 8, 2023
Assessing the Effects of Orbital Relaxation and the Coherent-State Transformation in Quantum Electrodynamics Density Functional and Coupled-Cluster TheoriesMarcus D Liebenthal, Nam Vu, A Eugene DePrinceThe Journal of Chemical Physics|September 9, 2025
Relativistic two-component double ionization potential equation-of-motion coupled cluster with the Dirac-Coulomb-Breit HamiltonianRun R Li, Stephen H Yuwono, Marcus D Liebenthal, et al.The Journal of Physical Chemistry. A|July 14, 2025
Automated Quantum Chemistry Code Generation with the p†q PackageMarcus D Liebenthal, Stephen H Yuwono, Lauren N Koulias, et al.Journal of Chemical Theory and Computation|September 23, 2022
Challenges for Variational Reduced-Density-Matrix Theory: Total Angular Momentum ConstraintsRun R Li, Nicholas C Rubin, A Eugene DePrinceThe Journal of Physical Chemistry Letters|July 7, 2023
Data-Driven Refinement of Electronic Energies from Two-Electron Reduced-Density-Matrix TheoryGrier M Jones, Run R Li, A Eugene DePrince, et al.The Journal of Chemical Physics|February 26, 2025
Two-component relativistic equation-of-motion coupled cluster for electron ionizationStephen H Yuwono, Run R Li, Tianyuan Zhang, et al.The Journal of Chemical Physics|March 9, 2021
Cavity-modulated ionization potentials and electron affinities from quantum electrodynamics coupled-cluster theoryA Eugene DePrinceThe Journal of Chemical Physics|November 3, 2016
Variational optimization of the two-electron reduced-density matrix under pure-state N-representability conditionsA Eugene DePrincePageof 8