Browsing Chemistry by Author "Lecours, Michael"
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Compact Sparse Coulomb Integrals using a Range-Separated Potential
Lecours, Michael (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 ...