Time-dependent multiconfiguration self-consistent-field methods for multielectron dynamics in intense laser fields

Abstract

Time-dependent multiconfiguration self-consistent-field methods with complete-active-space (TD- CASSCF) and occupation-restricted multiple-active-space (TD-ORMAS) models are developed. These methods enable highly flexible and systematic construction of the configuration interaction (Cl) spaces, allowing a compact yet accurate description of multielectron dynamics in intense laser fields.