Browsing Science (Faculty of) by Subject "molecular integrals"
Now showing items 1-1 of 1
-
Compact Sparse Coulomb Integrals using a Range-Separated Potential
(University of Waterloo, 2021-09-24)The efficient calculation of so-called two-electron integrals is an important component for electronic structure calculations on large molecules and periodic systems at both mean field and post-HF, correlated, levels. In ...