5 citations · 5 across the 5 of their papers we have counts for
3 papers · 1 filter
Reply to Comment on "Efficient implementation of the superposition of atomic potentials initial guess for electronic structure calculations in Gaussian basis sets"
Susi Lehtola, Lucas Visscher, Eberhard Engel
We reply to the Comment by Surjuse, Deng, Asadchev, and Valeev [arXiv:2603.16989] on our article "Efficient implementation of the superposition of atomic potentials initial guess f…
Quaternion Dirac--Coulomb--Breit Integral Transformation for Relativistic Four-Component Correlated Electronic Structure Theory
Martijn Oele, Rajat Majumder, Shiv Upadhyay +5
High-accuracy correlated four-component relativistic electronic structure methods are typically formulated in terms of integrals over molecular orbital (MO). Consequently, an effic…
Report on the second Toulouse Tensor Workshop
Jan Brandejs, Trond Saue, Andre Severo Pereira Gomes +2
This report documents the program of the second Toulouse Tensor Workshop which took place at the University of Toulouse on September 17-19, 2025, and summarizes the main points of…