论文标题
杂种费尔米管和玻色子环境的运动方法的层次方程：矩阵产品状态配方在双空间中
Hierarchical equations of motion approach to hybrid fermionic and bosonic environments: Matrix product state formulation in twin space
论文作者
论文摘要
我们将运动方法分层方程式的双空间公式与矩阵乘积状态表示（在J. Chem。Phys。150，234102，[2019]中引入）相结合到非平衡场景中，其中开放量子系统与混合效费和玻璃纤维环境耦合。扩展中使用的关键思想是对辅助密度矩阵的层次运动方程式的重新制定，以增加时间依赖性的Schrödinger样方程，以增强多维波函数，以及张量分解为低率矩阵的产品。新方法促进了在较大且更复杂的开放量子系统中对非平衡量子动力学的准确模拟。对于表现出电流诱导的模式选择性振动激发的分子连接模型，该方法的性能被证明。
We extend the twin-space formulation of the hierarchical equations of motion approach in combination with the matrix product state representation (introduced in J. Chem. Phys. 150, 234102, [2019]) to nonequilibrium scenarios where the open quantum system is coupled to a hybrid fermionic and bosonic environment. The key ideas used in the extension are a reformulation of the hierarchical equations of motion for the auxiliary density matrices into a time-dependent Schrödinger-like equation for an augmented multi-dimensional wave function as well as a tensor decomposition into a product of low-rank matrices. The new approach facilitates accurate simulations of non-equilibrium quantum dynamics in larger and more complex open quantum systems. The performance of the method is demonstrated for a model of a molecular junction exhibiting current-induced mode-selective vibrational excitation.
