期刊
MOLECULAR PHYSICS
卷 116, 期 7-8, 页码 854-868出版社
TAYLOR & FRANCIS LTD
DOI: 10.1080/00268976.2017.1406165
关键词
Density matrix renormalisation group; matrix product state; time-dependent density matrix renormalisation group; nonadiabatic dynamics; quantum dynamics
资金
- National Natural Science Foundation of China [21373109, 21673109, 21722302, 91333202, 11574052]
Substantial progress of the time-dependent density matrix renormalisation group (t-DMRG) method in the recent 15 years is reviewed in this paper. By integrating the time evolution with the sweep procedures in density matrix renormalisation group (DMRG), t-DMRG provides an efficient tool for real-time simulations of the quantum dynamics for one-dimensional (1D) or quasi-1D strongly correlated systems with a large number of degrees of freedom. In the illustrative applications, the t-DMRG approach is applied to investigate the nonadiabatic processes in realistic chemical systems, including exciton dissociation and triplet fission in polymers and molecular aggregates as well as internal conversion in pyrazine molecule.
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