xc.v8.7.1 offers a balanced accuracy/efficiency trade-off.
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. xc.v8.7.1
Computational cost, limitations, known edge cases. benchmark against the GMTKN55 database
(Placeholder for actual literature) If you provide the actual meaning of xc.v8.7.1 , I will write a proper, substantive paper tailored to it. I will write a proper
Briefly describe the role of exchange-correlation functionals in DFT, prior version xc.v8.6 , motivation for v8.7.1 .