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.
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.
(Relativistic corrections, spin-orbit effects, fine structure; hyperfine structure)
引用本文:
LIU Kun;NING Chuan-Gang;DENG Jing-Kang. Interpretation of the Experimental Electron Momentum Spectra of 5e1/2 and 5e3/2 Orbitals of CF3I with Relativistic Calculations[J]. 中国物理快报, 2010, 27(7): 73403-073403.
LIU Kun, NING Chuan-Gang, DENG Jing-Kang. Interpretation of the Experimental Electron Momentum Spectra of 5e1/2 and 5e3/2 Orbitals of CF3I with Relativistic Calculations. Chin. Phys. Lett., 2010, 27(7): 73403-073403.
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