title: Optimized hierarchical equations of motion theory for Drude dissipation and efficient implementation to nonlinear spectroscopies.
abstract: Hierarchical equations of motion theory for Drude dissipation is optimized, with a convenient convergence criterion proposed in advance of numerical propagations. The theoretical construction is on the basis of a Padé spectrum decomposition that has been qualified to be the best sum-over-poles scheme for quantum distribution function. The resulting hierarchical dynamics under the a priori convergence criterion are exemplified with a benchmark spin-boson system, and also the transient absorption and related coherent two-dimensional spectroscopy of a model exciton dimer system. We combine the present theory with several advanced techniques such as the block hierarchical dynamics in mixed Heisenberg-Schrödinger picture and the on-the-fly filtering algorithm for the efficient evaluation of third-order optical response functions.
authors: Hefei National Laboratory for Physical Sciences at the Microscale, University of Science and Technology of China, Hefei, Anhui 230026, China.
authors: Jin-Jin
authors: JJ
authors: Ding
authors: Jian
authors: J
authors: Xu
authors: Jie
authors: J
authors: Hu
authors: Rui-Xue
authors: RX
authors: Xu
authors: YiJing
authors: Y
authors: Yan
mesh_terms: D000465:Algorithms; D009038:Motion; D011789:Quantum Theory; D013057:Spectrum Analysis / Q000379:methods