Yang Jie, Liang Guoming, Tian Anmign, Yan Guosen. Quantum Chemistry Study on the Excited States of CH2 System[J]. Chinese Journal of Chemical Physics , 1994, 7(1): 34-38.
Citation:
Yang Jie, Liang Guoming, Tian Anmign, Yan Guosen. Quantum Chemistry Study on the Excited States of CH2 System[J]. Chinese Journal of Chemical Physics , 1994, 7(1): 34-38.
Yang Jie, Liang Guoming, Tian Anmign, Yan Guosen. Quantum Chemistry Study on the Excited States of CH2 System[J]. Chinese Journal of Chemical Physics , 1994, 7(1): 34-38.
Citation:
Yang Jie, Liang Guoming, Tian Anmign, Yan Guosen. Quantum Chemistry Study on the Excited States of CH2 System[J]. Chinese Journal of Chemical Physics , 1994, 7(1): 34-38.
Quantum Chemistry Study on the Excited States of CH2 System
In this paper, the ground state and three excited states of CH2 are calculated by usingSCF, MCSCF and SOCI methods. Some properties such as toeal energy, stability, geometry,vibrational frequencies etc. are discussed. The results are well agreement with other authors andsome properties of the c1∑x+ state are predicted.
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