Advancing Hierarchical Equations of Motion for Efficient Evaluation of Coherent Two-dimensional Spectroscopy  

高效级联最子耗散动力学计算相干二维光谱方法的发展

作　　者：许健[1] 徐瑞雪[2] Darius Abramavicius 张厚道[1] 严以京[1,2,4] 

机构地区：[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

出　　处：《Chinese Journal of Chemical Physics》2011年第5期497-506,I0003,共11页化学物理学报（英文）

基　　金：This work was supported by the National Natural Science Foundation of China （No.21033008 and No.21073169）;the National Basic Research Program of China （No.2010CB923300 and No.2011CB921400）;and the Hong Kong RGC （No.604709） and UGC （AoE/P04/08-2） is gratefully acknowledged.

摘　　要：To advance hierarchical equations of motion as a standard theory for quantum dissipative dynamics, we put forward a mixed Heisenberg-SchrSdinger scheme with block-matrix implementation on efficient evaluation of nonlinear optical response function. The new approach is also integrated with optimized hierarchical theory and numerical filtering algorithm. Different 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.

关 键 词：Hierarchical equations of motion Two-dimensional spectroscopy Mixed Heisenberg-Schrodinger scheme 

分 类 号：O[理学]