用多组态含时哈特ree-fock 方法研究氦的双光子电离。

Two-photon ionization of helium studied with the multiconfigurational time-dependent Hartree-Fock method.

机构信息

Institut für Theoretische Physik und Astrophysik, Kiel, Germany.

出版信息

J Chem Phys. 2011 Feb 28;134(8):084106. doi: 10.1063/1.3553176.

Abstract

The multiconfigurational time-dependent Hartree-Fock method (MCTDHF) is applied for simulations of the two-photon ionization of helium. We present results for the single and double ionizations from the ground state for photon energies in the nonsequential regime and compare them to direct solutions of the Schrödinger equation using the time-dependent (full) configuration interaction (TDCI) method. We find that the single ionization is accurately reproduced by MCTDHF, whereas the double ionization results correctly capture the main trends of TDCI.

摘要

多组态含时哈特里-福克方法（MCTDHF）被应用于氦的双光子电离的模拟。我们给出了非序列区光子能量下从基态的单电离和双电离的结果，并与用含时（完全）组态相互作用（TDCI）方法得到的薛定谔方程的直接解进行了比较。我们发现，MCTDHF 能准确地再现单电离，而双电离的结果正确地捕捉到了 TDCI 的主要趋势。