Time-dependent geminal method applied to laser-driven beryllium
Time-dependent geminal method applied to laser-driven beryllium
复制标题
时间依赖性孪晶法应用于激光驱动铍
DOI：
10.1103/physreva.97.013423
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发表时间：
2018
影响因子：
2.9
通讯作者：
Yamanouchi Kaoru
中科院分区：
文献类型：
--
作者：
Loetstedt Erik;Kato Tsuyoshi;Yamanouchi Kaoru
我们引入了时间相关双子法，其中总波函数被写为时间相关双子的反对称乘积。双子是一个取决于两个电子坐标的双电子轨道，每个双子都被展开为时间相关的单电子轨道的乘积之和。推导了与时间相关的 Hartree-Fock 方程类似的孪生系数的运动方程。提出了二阶约简密度矩阵的最大特征值的评估作为测量瞬态波函数中的串间相关程度的方法。使用时间相关双子方法，我们模拟了铍原子暴露于 400 和 10 nm 两种不同波长的强激光脉冲时的时间相关波函数的演化。将结果与时间相关 Hartree-Fock 方法和多配置时间相关 Hartree-Fock 方法获得的结果进行比较。
We introduce the time-dependent geminal method, in which the total wave function is written as an antisymmetrized product of time-dependent geminals. A geminal is a two-electron orbital depending on the coordinates of two electrons, and each geminal is expanded as a sum of products of time-dependent one-electron orbitals. The equation of motion for the geminal coefficients similar to the time-dependent Hartree-Fock equation is derived. The evaluation of the largest eigenvalues of the second-order reduced density matrix is proposed as a way to measure the extent of the intergeminal correlation in a time-dependent wave function. Using the time-dependent geminal method, we simulate the evolution of the time-dependent wave function of a beryllium atom exposed to an intense laser pulse at two different wavelengths, 400 and 10 nm. The results are compared to those obtained by the time-dependent Hartree-Fock method and by the multiconfiguration time-dependent Hartree-Fock method.