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Updated: Jun 16, 2026

Using a Cyclic Ion Mobility Spectrometer for Tandem Ion Mobility Experiments
Published on: January 20, 2022
Communications: Explicitly correlated equation-of-motion coupled cluster method for ionized states
Denis Bokhan1, Seiichiro Ten-No
1Graduate School of Engineering, Kobe University, Nada-ku, Kobe 657-8501, Japan.
Abstract:
The ionization potential equation-of-motion (IP-EOM) method, based on linear explicitly correlated coupled cluster singles and doubles theory [CCSD(F12)] is reported. Numerical tests have shown that the present IP-EOM-CCSD(F12) method provides vertical IPs accurate to 0.05 eV compared to those in the complete basis set limit. The corresponding error in vertical IP of 2s shells does not exceed 0.1 eV.
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