Theoretical Study on the Formation Mechanism of Resonance States for the Na + I 2  → Na +  + I 2  −  System | Zendy

Cai Zhengting | Zendy; Ma Wanyong | Zendy; Sun Xiaomin | Zendy; Feng Dacheng | Zendy; Zhang Donghui | Zendy

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Theoretical Study on the Formation Mechanism of Resonance States for the Na + I 2 → Na + + I 2 − System

Author(s) -

Cai Zhengting,

Ma Wanyong,

Sun Xiaomin,

Feng Dacheng,

Zhang Donghui

Publication year - 2003

Publication title -

journal of the chinese chemical society

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.329

H-Index - 45

eISSN - 2192-6549

pISSN - 0009-4536

DOI - 10.1002/jccs.200300100

Subject(s) - chemistry , resonance (particle physics) , scattering , atomic physics , ion , ab initio , feshbach resonance , wave function , physics , molecule , quantum mechanics , organic chemistry

An extended LCAC‐SW (linear combination of arrangement channels‐scattering wavefunction) quantum scattering dynamic method combined with ab initio quantum chemical calculations has been used to study the formation mechanism of the resonance states for the ion‐pair formation reaction Na + I 2 → Na + + I 2 − . Resonance energy and resonance width or lifetime for the first resonance peak were calculated. Resonance can be identified to Feshbach resonance, and the physical interpretation has been given.

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