Open AccessPermutationally invariant fitting of intermolecular potential energy surfaces: A case study of the Ne-C2H2 system
Author(s) -
Jun Li,
Hua Guo
Publication year - 2015
Publication title -
journal of chemical physics online/the journal of chemical physics/journal of chemical physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.071
H-Index - 357
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/1.4936660
Subject(s) - intermolecular force , potential energy , invariant (physics) , ab initio , physics , computational chemistry , statistical physics , molecular dynamics , molecular physics , molecule , chemistry , atomic physics , quantum mechanics