A complex scaled multi-reference configuration interaction method to study Li and Li-like cations (Be, B, C, N, O) Auger resonances 1s2s(2) S-2 and 1s(2s2p P-3(o)) P-2(o)

作者：Zhang Song Bin; Yeager Danny L^*

来源：Journal of Molecular Structure, 2012, 1023: 96-100.

DOI：10.1016/j.molstruc.2012.04.020

• Complex scaled
• MCSCF
• Li-like
• Auger resonance

Auger resonances 1s2s(2) S-2 and 1s(2s2p P-3(o)) P-2(o) of Li and Li-like cations (Be, B, C, N. 0) have been studied with a complex scaled multi-reference configuration interaction method (CMR-CI). The multi-reference orbitals are optimized with complex scaled MCSCF for the specific state. Our calculations show that the present CMR-CI resonance parameters agree very well with the experiment and theoretical results. 2012 Elsevier B.V.

• 出版日期2012-9-12