Structure and potential energy function of the ground state of OH（D） and SH（D） | Zendy

Zhu Ji-Liang | Zendy; Ren Ting-Qi | Zendy; Wang Qing-Mei | Zendy

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Structure and potential energy function of the ground state of OH（D） and SH（D）

Author(s) -

Zhu Ji-Liang,

Ren Ting-Qi,

Wang Qing-Mei

Publication year - 2009

Publication title -

acta physica sinica

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.199

H-Index - 47

ISSN - 1000-3290

DOI - 10.7498/aps.58.3047

Subject(s) - ground state , statics , bond dissociation energy , potential energy , dissociation (chemistry) , atomic physics , physics , thermodynamics , chemistry , quantum mechanics

The structure and dissociation energy of the ground state of OH and SH are calculated using QCISDT/6-311++G3df,2pd method and QCISDT/ 6-311++G3df,2pd. Based on the theory of atomic and molecular statics, the reasonable dissociation limit for the ground state X2Π of OH is derived. The potential energy curve and relevant optical constants of this state are obtained by least square fitting to the Murrell-Sorbie function. All calculation results are in good agreement with the experimental data.

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