The induced polarization effect in ionization simulated by the weak-field asymptotic theory

Accurate and efficient ionization simulations are central in attodynamics. Following ionization, the outgoing electron moves under the influence of the laser-distorted charge density of the ion – in the first order of the field strength, this distortion accounts for the induced-core polarization effect (IPE). Here, we study the IPE in the angle-dependent ionization calculated by the many-electron weak-field asymptotic theory in the first order correction (ME-WFAT(1)). We highlight the potential application of ME-WFAT(1) to highly correlated molecules, which owes, partly, to the modularity in the wavefunction input. Here, modularity means that in ME-WFAT, the wavefunction input follows a plug-and-play principle [1]. We also highlight the prospect of the density matrix renormalization group (DMRG) to obtain the wavefunctions of highly correlated molecules for ME-WFAT. The ME-WFAT/DMRG combination will be a significant development of an accurate ionization theory in strongly correlated molecules with affordable computational cost.

[1] ISW, DDJ, F. Mauger, KL, M. B. Gaarde, and KJS, Phys. Rev. A 106, 052211 (2022)