title: An effective method for state population within time-dependent density functional theory.
abstract: The determination of state population probability within the framework of time-dependent density functional theory (TDDFT) has remained a widely open question. The aim of this study is to find out whether and how this probability can be extracted from time-dependent density, which has been used as the basic variable within TDDFT. We propose an effective method to calculate state population probabilities, which has been well validated in benchmark case studies on nonresonant (detuned) Rabi oscillations of a Na atom, Na2 dimer, and Na4 cluster irradiated by a monochromatic laser.
authors.affiliation: Laser Micro/Nano Fabrication Laboratory, School of Mechanical Engineering, Beijing Institute of Technology, Beijing 100081, China.
authors.forename: Feng
authors.initials: F
authors.lastname: Wang
authors.forename: Lan
authors.initials: L
authors.lastname: Jiang
authors.forename: Xuhai
authors.initials: X
authors.lastname: Hong
authors.forename: Yalong
authors.initials: Y
authors.lastname: Jiao
authors.forename: Jianguo
authors.initials: J
authors.lastname: Wang
authors.forename: Fengshou
authors.initials: F
authors.lastname: Zhang