C, N, O, Mg) Auger resonances 1s2s(2)2p P-1,3(o) Complex-scaled multireference configuration-interaction method to study Be and Be-like cations' (B

A complex-scaled multireference configuration interaction method (CMR-CI) is proposed, which employs the multireference orbitals optimized with complex-scaled multiconfiguration self-consistent field for the specific state. First applications for the 1s2s22p 1 ,3Po Auger resonances of Be and Be-like cations (B, C, N, O, Mg) show that present results agree very well with the available experimental and theoretical results. For example, our CMR-CI 1s2s22p 1Po resonance position and linewidth for C2 + are (294.031 eV, 61.5 meV), which is in excellent agreement with the high-resolution advanced light source latest experiment result (293.94 0.03 eV, 65 12 meV). Our calculations show that this CMR-CI method is a practical and important tool to study resonant states. 2012 American Physical Society.

Complex-scaled multireference configuration-interaction method to study Be and Be-like cations' (B, C, N, O, Mg) Auger resonances 1s2s(2)2p P-1,3(o) Academic Article