title: Laser-induced dissociation dynamics of triatomic molecule in electronic excited states: A full-dimensional quantum mechanics study.
abstract: We present a detailed theoretical approach to investigate the laser-induced dissociation dynamics of a triatomic molecule on its electronic excited state in full dimensional case. In this method, the time evolution of the time-dependent system is propagated via combined the split operator method and the expansion of Chebyshev polynomials (or short-time Chebyshev propagation) and the system wave functions are expanded in terms of molecular rotational bases. As an example of the application of this formalism, the dissociation dynamics of H3(+)→H2(+)+H induced by ultrashort UV laser pulses are investigated on new Born-Oppenheimer potential energy surfaces. Our numerical results show that the signals of dissociation products will be easier to observe as the increasing of field strength. Driving by a 266 nm laser beam, the calculated central value of kinetic-energy-release is 2.04 eV which shows excellent agreement with the experimental estimation of 2.1 eV. When the H3(+) ion is rotationally excited, the spatial distribution of product fragments will become well converged.
authors.affiliation: School of Physics, Shandong University, Jinan 250100, China.
authors.forename: Zhaopeng
authors.initials: Z
authors.lastname: Sun
authors.affiliation: School of Physics and Optoelectronic Engineering, Ludong University, Yantai 264025, China.
authors.forename: Chuanlu
authors.initials: C
authors.lastname: Yang
authors.affiliation: School of Physics, Shandong University, Jinan 250100, China.
authors.forename: Yujun
authors.initials: Y
authors.lastname: Zheng