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Exact Formulation of the Transverse Dynamic Spin Susceptibility as an Initial-Value Problem

机译:横向动态自旋磁化率作为初值问题的精确表述

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The transverse dynamic spin susceptibility is a correlation function that yields exact information about spin excitations in systems with a collinear magnetic ground state, including collective spin-wave modes. In an ab initio context, it may be calculated within many-body perturbation theory or time-dependent density-functional theory, but the quantitative accuracy is currently limited by the available functionals for exchange and correlation in dynamically evolving systems. To circumvent this limitation, the spin susceptibility is here alternatively formulated as the solution of an initial-value problem. In this way, the challenge of accurately describing exchange and correlation in many-electron systems is shifted to the stationary initial state, which is much better understood. The proposed scheme further requires the choice of an auxiliary basis set, which determines the speed of convergence but always allows systematic convergence in practical implementations.
机译:横向动态自旋磁化率是一个相关函数,可在具有共线磁性基态(包括集体自旋波模式)的系统中产生有关自旋激发的准确信息。在从头算的情况下,可以在多体摄动理论或时间依赖的密度泛函理论中进行计算,但定量精度目前受到动态演化系统中交换和关联的可用泛函的限制。为了避免这种局限性,此处将自旋磁化率替代表示为初值问题的解决方案。这样,在多电子系统中准确描述交换和相关性的挑战就转移到了静止的初始状态,这一点要好得多了。提出的方案还需要选择辅助基础集,该辅助基础集确定收敛速度,但在实际实现中始终允许系统收敛。

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