A general formalism of the Fock space multireference coupled cluster method for investigating molecular electronic resonances.

Electron correlation and relaxation effects play a substantial role in the formation and decay of resonance states. In this paper we formulate a complex absorbing potential combined with the Fock space multireference coupled cluster method for the correlated calculations of resonance energy and width. This can describe the dynamic and non-dynamic electron correlation efficiently in the ionized or electron attached states. [ABSTRACT FROM AUTHOR]