Department of Chemistry, Iowa State University, Ames, Iowa 50014, United States.
Chem Rev. 2020 Nov 25;120(22):12343-12356. doi: 10.1021/acs.chemrev.0c00216. Epub 2020 Nov 9.
A broad range of approaches to many-body dispersion are discussed, including empirical approaches with multiple fitted parameters, augmented density functional-based approaches, symmetry adapted perturbation theory, and a supermolecule approach based on coupled cluster theory. Differing definitions of "body" are considered, specifically atom-based vs molecule-based approaches.
讨论了多种多体色散方法,包括具有多个拟合参数的经验方法、基于增广密度泛函的方法、对称适应微扰理论和基于耦合簇理论的超分子方法。考虑了不同的“体”定义,特别是基于原子的方法与基于分子的方法。