A study of conical intersections for the H3(+) system.
A parametrization of the three asymptotic conical intersections between the energies of the H3(+) ground state and the first excited singlet state is presented. The influence of an additional, fourth conical intersection between the first and second excited states at the equilateral geometry on the connection between the three conical regions is studied, for both diatomics-in-molecules and ab initio molecular data.
Barragán
P
P
Laboratorio Asociado al CIEMAT de Física Atómica y Molecular en Plasmas de Fusión, Departamento de Química, Universidad Autónoma de Madrid, 28049 Madrid, Spain.
Errea
L F
LF
Macías
A
A
Méndez
L
L
Rabadán
I
I
Riera
A
A