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6.6 Auxiliary Basis (Resolution of the Identity) MP2 Methods

6.6.11 RI-MP2 Method with the Laplace Transformation

(February 4, 2022)

Joonho Lee working with Martin Head-Gordon added a libgmbpt-based Laplace-transformed RI-MP2 implementation for both same-spin and opposite-spin correlations.651 To use this feature, one can just add LAPLACE_TRANSFORM TRUE to the $rem block.