21 citations · 37 across the 8 of their papers we have counts for
Showing 2026Show all
2 papers · 1 filter
physics.chem-ph2026★ 1 cited
Comment on "Efficient implementation of the superposition of atomic potentials initial guess for electronic structure calculations in Gaussian basis sets"
Kshitijkumar A. Surjuse, Zhihao Deng, Andrey Asadchev +1
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 implement…
physics.chem-ph2026
SAP-X2C: Optimally-Simple Two-Component Relativistic Hamiltonian With Size-Intensive Picture Change
Kshitijkumar A. Surjuse, Edward F. Valeev
We present a simple relativistic exact 2-component (X2C) Hamiltonian that models two-electron picture-change effects using Lehtola's superposition of atomic potentials (SAP) [S. Le…