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国家自然科学基金(s10604022)

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Multi-reference calculations of the photodissociation of HSCH_3 molecule
2008年
This paper performs multi-reference second-order perturbation theory calculations on the ground state and a number of low-lying excited states of HSCH3 molecule, and calculates the vertical excitation energies and low-energy potential-energy curves, based on which the photodissociation channels of HSCH3 at 193,222,248 nm are clarified.
闫冰潘守甫
关键词:PHOTODISSOCIATION
Electron impact excitation of tetrasulfur S4 molecule
2007年
Electron impact excitation of tetrasulfur S4 molecule is investigated in this work using R-matrix method. The twelve low-lying electronic states are used in close-coupling expansion to represent the target states, and the integral cross sections for elastic scattering and excitation into the six lowest electronic states are calculated.
闫冰潘守甫于俊华
关键词:SCATTERING
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