Approaching the basis set limit for DFT calculations using an environment-adapted minimal basis with perturbation theory: Formulation, proof of concept, and a pilot implementation
Crossref DOI link: https://doi.org/10.1063/1.4959125
Published Online: 2016-07-27
Published Print: 2016-07-28
Update policy: https://doi.org/10.1063/aip-crossmark-policy-page
Mao, Yuezhi
Horn, Paul R.
Mardirossian, Narbe
Head-Gordon, Teresa
Skylaris, Chris-Kriton
Head-Gordon, Martin
Funding for this research was provided by:
National Science Foundation (CHE-1363320)
