[10a-Z19-1~11] 3.6 Ultrashort-pulse and high-intensity lasers

▲ [10a-Z19-8] Implementation of the time-dependent Hartree-Fock method for diatomic molecules on prolate spheroidal coordinates

〇(P)Yang Li¹, Takeshi Sato^1,2, Kenichi Ishikawa^1,2 (1.Graduate School of Engineering, The Univ. of Tokyo, 2.Research Inst. for Photon Science and Laser Technology, The Univ. of Tokyo)

Keywords:time-dependent Hartree-Fock method, diatomic molecules

Multielectron dynamics plays an important role when atoms and molecules are subject to ultrashort intense laser pulses. Numerical investigations of multielectron dynamics and correlation effects require highly nonperturbative treatments, which are very challenging. In order to tackle this challenge, the time-dependent multiconfiguration self-consistent-field (TD-MCSCF) methods have been developed. In this contribution, as a starting point of TD-MCSCF methods, we report 3-dimensional real-space implementation of the time-dependent Hartree-Fock (TDHF) method for diatomic molecules, with which stable and highly accurate simulations of strong-field phenomena are achieved within reasonable computational cost.