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Ryan A. Beck

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Preprint Aug 2026

Relativistic Dirac-Coulomb-Breit Four-Component Multireference Perturbation Theory within the Small Tensor Product Distributed Active Space Framework

We present a four-component multireference second-order perturbation theory (4C-MRPT2) within the small tensor product distributed active space (STP-DAS) framework. The formulation is compatible with the Dirac-Coulomb (DC), Dirac-Coulomb-Gaunt (DCG), and Dirac-Coulomb-Breit (DCB) Hamiltonians, and inherits the memory-e...

R. Majumder, Shiv Upadhyay, Ryan A. Beck et al. · 0 citations

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