密度矩阵时间传播中的半经典电子关联
Semiclassical Electron Correlation in Density-Matrix Time-Propagation
摘要:
缺乏记忆(时间局部性)是目前几乎所有含时密度泛函近似的一个主要限制。通过使用半经典动力学计算相关效应内的密度矩阵功能的方法,我们将内存,包括初始状态的依赖性,以及不断变化的占领数,并预测更多的观测强场应用。
英文摘要:
Lack of memory (locality in time) is a major limitation of almost all present time-dependent density functional approximations. By using semiclassical dynamics to compute correlation effects within a density-matrix functional approach, we incorporate memory, including initial-state dependence, as well as changing occupation numbers, and predict more observables in strong-field applications.
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