|
|
|
| Multi-reference calculations of the photodissociation of HSCH3 molecule |
| Yan Bing, Pan Shou-Fu |
| Institute of Atomic and Molecular Physics, Jilin
University,
Changchun 130012, China |
|
|
|
|
Abstract This paper performs multi-reference second-order perturbation theory
calculations on the ground state and a number of low-lying excited
states of HSCH$_{3}$ molecule, and calculates the vertical
excitation energies and low-energy potential-energy curves, based on
which the photodissociation channels of HSCH$_{3}$ at
193,222,248\,nm are clarified.
|
|
Received: 10 June 2007
Published: 01 April 2008
|
| PACS: |
31.15.xp
|
(Perturbation theory)
|
| |
31.15.xr
|
(Self-consistent-field methods)
|
| |
31.50.Df
|
(Potential energy surfaces for excited electronic states)
|
| |
33.80.Gj
|
(Diffuse spectra; predissociation, photodissociation)
|
|
| Fund:Project supported by the National
Natural Science Foundation of
China (Grant Nos 10604022 and 60278009). |
|
|
|
| [1] |
Li Sheng-Qiang, Xu Liang, Chen Yang-Qin, Deng Lian-Zhong, Yin Jian-Ping. Production of CH (A2Δ) by multi-photon dissociation of (CH3)2CO, CH3NO2, CH2Br2, and CHBr3 at 213 nm[J]. Chin. Phys. B, 2014, 23(8): 83701-083701. |
| [2] |
Song Yao-Dong, Chen Zhou, Yang Xue, Sun Chang-Kai, Zhang Cong-Cong, Hu Zhan. Control of the photoionization/photodissociation processes of cyclopentanone with trains of femtosecond laser pulses[J]. Chin. Phys. B, 2013, 22(10): 103301-103301. |
| [3] |
Han Yong-Chang, Hu Wen-Hui, Yu Jie, Cong Shu-Lin. Interference of dissociating wave packets in the I2 molecule driven by femtosecond laser pulses[J]. Chin. Phys. B, 2009, 18(11): 4834-4839. |
|
|
|
|
2008, Vol. 17 
