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Modeling Large Molecules

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Physical Chemistry

Accurate and Efficient Open-Source Implementation of Domain-Based Local Pair Natural Orbital (DLPNO) Coupled-Cluster Theory Using a t1-Transformed Hamiltonian

Andy Jiang, Zachary Glick, David Poole, Justin Turney, David Sherrill, Henry Schaefer

Version 1 posted 11 June 2024

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