引用本文:
【打印本页】   【HTML】   【下载PDF全文】   View/Add Comment  【EndNote】   【RefMan】   【BibTex】
←前一篇|后一篇→ 过刊浏览    高级检索
本文已被:浏览 2235次   下载 1667 本文二维码信息
码上扫一扫!
分享到: 微信 更多
Advancing Hierarchical Equations of Motion for E±cient Evaluation of Coherent Two-dimensional Spectroscopy
Jian Xu1, Rui-xue Xu2, Darius Abramavicius3,4, Hou-dao Zhang1, Yi-jing Yan1,2,4
1.Department of Chemistry, Hong Kong University of Science and Technology, Kowloon, Hong Kong;2.Hefei National Laboratory for Physical Sciences at the Microscale, University of Science and Tech-nology of China, Hefei 230026, China;3.Physics Faculty, Vilnius University, Lithuania;4.State Key Laboratory of Supramolecular Structure and Materials, Jilin University, Changchun 130012, China
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1, 徐瑞雪*2, Darius Abramavicius3,4, 张厚道1, 严以京*1,2,4
1.香港科技大学化学系,九龙;2.中国科学技术大学合肥微尺度物质科学国家实验室(筹),合肥230026;3.立陶宛维尔纽斯大学物理学院;4.吉林大学超分子结构与材料国家重点实验室,长春130012
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: