activity
20232026
most citedMBE-CASSCF Approach for the Accurate Treatment of Large Active Spaces

13 citations · 18 across the 6 of their papers we have counts for

collaborators
Showing 2025Show all

1 paper · 1 filter

physics.chem-ph2025★ 2 cited

A Reusable Library for Second-Order Orbital Optimization Using the Trust Region Method

Jonas Greiner, Ida-Marie Høyvik, Susi Lehtola +1

We present a reusable, open-source software implementation of the second-order trust region algorithm in the new OpenTrustRegion library. We apply the implementation to the general…