47 citations · 176 across the 6 of their papers we have counts for
3 papers
physics.chem-ph2019★ 35 cited
Communication: Curing basis set overcompleteness with pivoted Cholesky decompositions
Susi Lehtola
The description of weakly bound electronic states is especially difficult with atomic orbital basis sets. The diffuse atomic basis functions that are necessary to describe the exte…
cond-mat.str-el2016★ 26 cited
Cost-effective description of strong correlation: efficient implementations of the perfect quadruples and perfect hextuples models
Susi Lehtola, John Parkhill, Martin Head-Gordon
Novel implementations based on dense tensor storage are presented for the singlet-reference perfect quadruples (PQ) [Parkhill, Lawler, and Head-Gordon, J. Chem. Phys. 130, 084101 (…
cond-mat.mtrl-sci2016★ 47 cited
Theory and applications of generalized Pipek--Mezey Wannier functions
Elvar Ö. Jónsson, Susi Lehtola, Martti Puska +1
The theory for the generation of Wannier functions within the generalized Pipek--Mezey approach [Lehtola, S.; Jónsson, H. J. Chem. Theory Comput. 2014, 10, 642] is presented and an…