The time-dependent density matrix renormalisation group method

ABSTRACT

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.

KEYWORDS:

• Density matrix renormalisation group
• matrix product state
• time-dependent density matrix renormalisation group
• nonadiabatic dynamics
• quantum dynamics

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No potential conflict of interest was reported by the authors.

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Funding

National Natural Science Foundation of China [grant number 21373109], [grant number 21673109], [grant number 21722302], [grant number 91333202] and [grant number 11574052].