Benchmarking PBE+D3 and SCAN+rVV10 methods using potential energy surfaces generated with MP2+ΔCCSD(T) calculation

Chen Jie^{1, 2}, Xie Weiyu³, Li Kaihang¹, Zhang Shengbai⁴, Sun Yi-Yang^{2, †}

Comparison between SCAN, SCAN+rVV10, and the benchmark on (a) Gly-Gly-d, (b) Gly-U-d, (c) U-U-d, (d) Gly-Gly-θ, (e) Gly-U-θ, (f) U-U-θ.