Search

Article

x

留言板

尊敬的读者、作者、审稿人, 关于本刊的投稿、审稿、编辑和出版的任何问题, 您可以本页添加留言。我们将尽快给您答复。谢谢您的支持!

姓名
邮箱
手机号码
标题
留言内容
验证码

Potential energy function and spectroscopic parameters of SN- molecular ion

Li Song Han Li-Bo Chen Shan-Jun Duan Chuan-Xi

Potential energy function and spectroscopic parameters of SN- molecular ion

Li Song, Han Li-Bo, Chen Shan-Jun, Duan Chuan-Xi
PDF
Get Citation

(PLEASE TRANSLATE TO ENGLISH

BY GOOGLE TRANSLATE IF NEEDED.)

Metrics
  • Abstract views:  1068
  • PDF Downloads:  561
  • Cited By: 0
Publishing process
  • Received Date:  10 August 2012
  • Accepted Date:  29 January 2013
  • Published Online:  05 June 2013

Potential energy function and spectroscopic parameters of SN- molecular ion

  • 1. College of Physical Science and Technology, Yangtze University, Jingzhou 434023, China;
  • 2. College of Physical Science and Technology, Central China Normal University, Wuhan 430079, China
Fund Project:  Project supported by the Research Foundation of Education Bureau of Hubei Province, China (Grant No. D20101303), the Technology Creative Project of Excellent Middle & Young Team of Hubei Province, China (Grant No. T201204), and the Scientific Research Starting Foundation for Ph. D. of Yangtze University, China.

Abstract: The molecular structure of the ground electronic state (X3∑-) of SN- molecular ion has been calculated by using the CCSD(T) method in combination with the correlation-consistent basis sets aug-cc-pVXZ (X=D,T,Q,5). The equilibrium internuclear distance Re , harmonic frequency ωe and dissociation energy De of the molecular ion are derived and are extrapolated to the complete basis set limit. Comparisons of corresponding parameters between this work and those reported previously indicate our results agree well with the experimental data. A reliable potential energy curve is obtained and is perfectly reproduced in the form of the Murrell-Sorbie analytical potential function. we utilized have the potential energy curve to calculate the relevant spectroscopic parameters of the ground state of the system. The vibrational levels and corresponding molecular constants for the X3∑- state are obtained by solving the radial Schrödinger equation of the nuclear motion. Calculations in the present work indicate that an improvement in theoretical computations of SN- molecular ion is achieved.

Reference (32)

Catalog

    /

    返回文章
    返回