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Heman Gharibnejad (Assoc)


A Multi-Center Quadrature Scheme for the Molecular Continuum

Barry I. Schneider, Heman Gharibnejad, nicholas douguet, Luca Argenti, Jeppe Olsen
A common way to evaluate electronic integrals for polyatomic molecules is to use Becke's partitioning scheme [\colorblue}J. Chem. Phys. \bf 88}, 2547 (1988)}]
Created September 11, 2019, Updated December 9, 2022