作者: Sergiy Bubin , Jacek Komasa , Monika Stanke , Ludwik Adamowicz
DOI: 10.1063/1.3275804
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摘要: Very accurate electron affinity (EA) calculations of L6i and L7i (and L∞i) have been performed using explicitly correlated Gaussian functions a variational approach that includes the nuclear motion in (i.e., does not assume Born–Oppenheimer approximation). The leading relativistic quantum electrodynamics corrections to affinities were also calculated. results are most theoretical values obtained for studied systems date. Our best estimates EAs 4984.9842(30) 4984.9015(30) cm−1, respectively, L7i/L6i EA isotope shift is 0.0827 cm−1.