Complex absorbing potential method with multi-reference wave function theory

摘要

Electronic resonances play an important role in a process of the reaction that involves the electronic transfer from the electron-attached metastable state to the continuum. As a theoretical method to evaluate the energy of the resonation state arising from the electron attachment promoting the N-electron system to N+1 electron system, Ehara et al. reported the development of the CAP/SAC-CI (complex absorbing potential/symmetry-adapted cluster- configuration interaction) method.