Xc.v8.7.1 May 2026

xc.v8.7.1 offers a balanced accuracy/efficiency trade-off.

Computational cost, limitations, known edge cases. xc.v8.7.1

This paper presents xc.v8.7.1 , a revised implementation of the exchange-correlation functional framework targeting improved accuracy for transition metal complexes and weak interactions. We detail modifications to the semi-local correlation component, benchmark against the GMTKN55 database, and report a mean absolute deviation reduction of 12% compared to xc.v8.6 . The code interface and numerical stability are also discussed. benchmark against the GMTKN55 database