Comment on “Theory of the photodissociation of ozone in the Hartley continuum: Potential energy surfaces, conical intersections, and photodissociation dynamics” [J. Chem. Phys. 123, 014306 (2005)] | Zendy

Sergy Yu. Grebenshchikov | Zendy; Reinhard Schinke | Zendy

Open Access

Comment on “Theory of the photodissociation of ozone in the Hartley continuum: Potential energy surfaces, conical intersections, and photodissociation dynamics” [J. Chem. Phys. 123, 014306 (2005)]

Author(s) -

Sergy Yu. Grebenshchikov,

Reinhard Schinke

Publication year - 2007

Publication title -

the 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 - 10.1063/1.2745797

Subject(s) - diabatic , photodissociation , ab initio , potential energy surface , ab initio quantum chemistry methods , chemistry , quantum , potential energy , atomic physics , conical intersection , physics , quantum mechanics , photochemistry , molecule , adiabatic process

We demonstrate in this Comment that the quantum mechanical absorption spectrum of the Hartley band of ozone, calculated using the diabatic B state potential energy surface constructed from the ab initio data of the title paper, is strongly structured. This result, which is in agreement with previous theoretical studies of the Hartley band, contradicts the findings of Baloïtcha and Balint-Kurti and questions the accuracy of their calculations

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