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DOE OSTI · 1977914

Analytic Energy Gradients for the Driven Similarity Renormalization Group Multireference Second-Order Perturbation Theory

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Wang, Shuhe, Li, Chenyang, Evangelista, Francesco A.. 2021-11-29. Analytic Energy Gradients for the Driven Similarity Renormalization Group Multireference Second-Order Perturbation Theory. https://doi.org/10.1021/acs.jctc.1c00980

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