Comment on “Efficient implementation of the superposition of atomic potentials initial guess for electronic structure calculations in Gaussian basis sets”

arXiv:2603.16989v1 Announce Type: new
Abstract: In J. Chem. Phys. 152, 144105 (2020) Lehtola et al introduced the efficient Gaussian-basis representation of Superposition of Atomic Potentials (SAP) which “can be easily implemented in any Gaussian-basis quantum chemistry code in terms of two-electron integrals”. Here we demonstrate that it is possible to evaluate Gaussian AO representation of SAP by nearly trivial modification of one-electron nuclear attraction integrals.