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Electric dipole moment function and line intensities for the ground state of carbon monxide
  • ISSN号:1674-1056
  • 期刊名称:《中国物理B:英文版》
  • 时间:0
  • 分类:O562[理学—原子与分子物理;理学—物理]
  • 作者机构:Institute of Atomic and Molecular Physics, Sichuan University, Science and Technology on Optical Radiation Laboratory
  • 相关基金:supported by the National Natural Science Foundation of China(Grant Nos.11374217 and 11474207)
中文摘要:

An accurate electric dipole moment function(EDMF) is obtained for the carbon monoxide(CO) molecule(X1+Σ)by fitting the experimental rovibrational transitional moments. Additionally, an accurate ab initio EDMF is found using the highly accurate, multi-reference averaged coupled-pair functional(ACPF) approach with the basis set, aug-cc-p V6 Z, and a finite-field with ±0.005 a.u.(The unit a.u. is the abbreviation of atomic unit). This ab initio EDMF is very consistent with the fitted ones. The vibrational transition matrix moments and the Herman–Wallis factors, calculated with the Rydberg–Klein–Rees(RKR) potential and the fitted and ab initio EDMFs, are compared with experimental measurements. The consistency of these line intensities with the high-resolution transmission(HITRAN) molecular database demonstrates the improved accuracy of the fitted and ab initio EDMFs derived in this work.

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期刊信息
  • 《中国物理B:英文版》
  • 中国科技核心期刊
  • 主管单位:中国科学院
  • 主办单位:中国物理学会和中国科学院物理研究所
  • 主编:欧阳钟灿
  • 地址:北京 中关村 中国科学院物理研究所内
  • 邮编:100080
  • 邮箱:
  • 电话:010-82649026 82649519
  • 国际标准刊号:ISSN:1674-1056
  • 国内统一刊号:ISSN:11-5639/O4
  • 邮发代号:
  • 获奖情况:
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  • 被引量:406