Separable resolution-of-the-identity with all-electron Gaussian bases: Application to cubic-scaling RPA.

  title={Separable resolution-of-the-identity with all-electron Gaussian bases: Application to cubic-scaling RPA.},
  author={Ivan Duchemin and Xavier Blase},
  journal={The Journal of chemical physics},
  volume={150 17},
We explore a separable resolution-of-the-identity (RI) formalism built on quadratures over limited sets of real-space points designed for all-electron calculations. Our implementation preserves, in particular, the use of common atomic orbitals and their related auxiliary basis sets. The setup of the present density fitting scheme, i.e., the calculation of the system specific quadrature weights, scales cubically with respect to the system size. Extensive accuracy tests are presented for the Fock… 
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