Journal
PHYSICAL REVIEW LETTERS
Volume 111, Issue 16, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevLett.111.163001
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Funding
- National Basic Research Program of China (973 Program) [2013CB922203]
- NSF of China [11274383]
- Major Research plan of NSF of China [91121017]
- Innovation Foundation of NUDT [B110204]
- Hunan Provincial Innovation Foundation for Postgraduate [CX2011B010]
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The orientation-dependent strong-field ionization of CO molecules is investigated using the fully propagated three-dimensional time-dependent Hartree-Fock theory. The full ionization results are in good agreement with recent experiments. The comparisons between the full method and the single active orbital method show that although the core electrons are generally more tightly bound and contribute little to the total ionization yields, their dynamics cannot be ignored, which effectively modifies the behavior of electrons in the highest occupied molecular orbital. By incorporating it into the single active orbital method, we identify that the dynamic core polarization plays an important role in the strong-field tunneling ionization of CO molecules, which is helpful for the future development of the tunneling ionization theory of molecules beyond the single active electron approximation.
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