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Advancing Hierarchical Equations of Motion for E±cient Evaluation of Coherent Two-dimensional Spectroscopy
Jian Xu,Rui-xue Xu,Darius Abramavicius,Hou-dao Zhang,Yi-jing Yan
Author NameAffiliationE-mail
Jian Xu Department of Chemistry, Hong Kong University of Science and Technology, Kowloon, Hong Kong  
Rui-xue Xu Hefei National Laboratory for Physical Sciences at the Microscale, University of Science and Tech-nology of China, Hefei 230026, China rxxu@ustc.edu.cn 
Darius Abramavicius Physics Faculty, Vilnius University, LithuaniaState Key Laboratory of Supramolecular Structure and Materials, Jilin University, Changchun 130012, China  
Hou-dao Zhang Department of Chemistry, Hong Kong University of Science and Technology, Kowloon, Hong Kong  
Yi-jing Yan Department of Chemistry, Hong Kong University of Science and Technology, Kowloon, Hong KongHefei National Laboratory for Physical Sciences at the Microscale, University of Science and Tech-nology of China, Hefei 230026, ChinaState Key Laboratory of Supramolecular Structure and Materials, Jilin University, Changchun 130012, China yyan@ust.hk 
Abstract:
To advance hierarchical equations of motion as a standard theory for quantum dissipative dynamics, we put forward a mixed Heisenberg-Schr?dinger scheme with block-matrix imple-mentation on efficient evaluation of nonlinear optical response function. The new approach is also integrated with optimized hierarchical theory and numerical filtering algorithm. Dif-ferent configurations of coherent two-dimensional spectroscopy of model excitonic dimer systems are investigated, with focusing on the effects of intermolecular transfer coupling and bi-exciton interaction.
Key words:  Hierarchical equations of motion, Two-dimensional spectroscopy, Mixed Heisenberg-Schr?dinger scheme
FundProject:
高效级联量子耗散动力学计算相干二维光谱方法的发展
许健,徐瑞雪*,Darius Abramavicius,张厚道,严以京*
摘要:
为了能够高效计算非线性光学响应函数,提出了级联方程组的混合海森堡-薛定谔方案以及块矩阵操作方法. 同时,这些方法也与最近发展的级联方程组的最优构建和过滤传播子相结合, 模拟了不同光学四波混频配置下激子二聚体模型体系的相干二维光谱,重点研究了其中分子间转移耦合和激子{激子相互作用的影响.
关键词:  级联量子耗散方程组,二维光谱,混合海森堡{薛定谔方案
DOI:10.1088/1674-0068/24/05/497-506
分类号: