Open AccessAn improved quasi-diabatic representation of the 1, 2, 31A coupled adiabatic potential energy surfaces of phenol in the full 33 internal coordinates
Author(s) -
Xiaolei Zhu,
Christopher L. Malbon,
David R. Yarkony
Publication year - 2016
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 - 10.1063/1.4944091
Subject(s) - diabatic , conical intersection , adiabatic process , potential energy , chemistry , potential energy surface , kinetic energy , maxima and minima , saddle point , work (physics) , molecular physics , computational chemistry , physics , atomic physics , ab initio , classical mechanics , quantum mechanics , geometry , mathematical analysis , mathematics , organic chemistry