4.4 Article

The time-dependent density matrix renormalisation group method

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

  1. National Natural Science Foundation of China [21373109, 21673109, 21722302, 91333202, 11574052]

向作者/读者索取更多资源

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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