Chin. Phys. Lett.  2010, Vol. 27 Issue (7): 073403    DOI: 10.1088/0256-307X/27/7/073403
ATOMIC AND MOLECULAR PHYSICS |
Interpretation of the Experimental Electron Momentum Spectra of 5e1/2 and 5e3/2 Orbitals of CF3I with Relativistic Calculations

LIU Kun, NING Chuan-Gang, DENG Jing-Kang

Department of Physics and Key Laboratory of Atomic and Molecular NanoSciences of MOE, Tsinghua University, Beijing 100084
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LIU Kun, NING Chuan-Gang, DENG Jing-Kang 2010 Chin. Phys. Lett. 27 073403
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Abstract

With our newly developed method, we calculate the spin-orbit splitting states 5e1/2 and 5e3/2 of the CF3I molecule incorporating the relativistic effects. Our theoretical results agree excellently with the recent experimental observations. The present study shows that relativistic effects can evidently change the electron momentum distributions of molecular orbitals when a medium Z element is included, such as iodine.

Keywords: 34.80.Gs      31.15.aj     
Received: 08 March 2010      Published: 28 June 2010
PACS:  34.80.Gs (Molecular excitation and ionization)  
  31.15.aj (Relativistic corrections, spin-orbit effects, fine structure; hyperfine structure)  
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https://cpl.iphy.ac.cn/10.1088/0256-307X/27/7/073403       OR      https://cpl.iphy.ac.cn/Y2010/V27/I7/073403
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LIU Kun
NING Chuan-Gang
DENG Jing-Kang
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