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

陈劼, 谢炜宇, 李开航, 张绳百, 孙宜阳

Jie Chen(陈劼), Weiyu Xie(谢炜宇), Kaihang Li(李开航), Shengbai Zhang(张绳百), Yi-Yang Sun(孙宜阳)

中国物理B . 2020, (1): 13102 -013102 . DOI: 10.1088/1674-1056/ab5fbb