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Comparing perturbative and commutator-rank-based truncation schemes in unitary coupled-cluster theory

https://doi.org/10.1080/00268976.2025.2522382

Phillips, Justin T; Koulias, Lauren N; Yuwono, Stephen H; DePrince_III, A Eugene (June 2025, Molecular Physics)

Free, publicly-accessible full text available June 24, 2026
Relativistic Coupled Cluster with Completely Renormalized and Perturbative Triples Corrections

https://doi.org/10.1021/acs.jpca.4c02583

Yuwono, Stephen H; Li, Run R; Zhang, Tianyuan; Surjuse, Kshitijkumar A; Valeev, Edward F; Li, Xiaosong; Eugene_DePrince, A (August 2024, The Journal of Physical Chemistry A)

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Dirac–Coulomb–Breit Molecular Mean-Field Exact-Two-Component Relativistic Equation-of-Motion Coupled-Cluster Theory

https://doi.org/10.1021/acs.jpca.3c08167

Zhang, Tianyuan; Banerjee, Samragni; Koulias, Lauren N.; Valeev, Edward F.; DePrince, A. Eugene; Li, Xiaosong (April 2024, The Journal of Physical Chemistry A)

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Single Reference Treatment of Strongly Correlated H ₄ and H ₁₀ Isomers with Richardson–Gaudin States

https://doi.org/10.1021/acs.jctc.3c00807

Johnson, Paul Andrew; DePrince, A Eugene (November 2023, Journal of Chemical Theory and Computation)

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