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Article overview
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Classical Treatment of Nonadiabatic Dynamics Based on Angular Momentum Mapping Hamiltonian | Jie Zheng
; Yu Xie
; Sheng-shi Jiang
; Yun-ze Long
; Xin Ning
; Zhenggang Lan
; | Date: |
1 Nov 2018 | Abstract: | The classical treatment based on the angular momentum mapping Hamiltonian
(CAMH) was employed to describe the nonadiabatic dynamics. Here the
site-exciton models were selected as typical examples, and the performance of
the CAMH dynamical results were evaluated with respect to those of the accurate
Multilayer Multiconfigurational Time-Dependent Hartree (ML-MCTDH) quantum
dynamics. For the symmetric site-exciton models, the CAMH method gives the very
nice description on the time-dependent population dynamics for the slow-bath
models, which indicates that the CAMH method may be an interesting and
potential dynamical approach in the description of the nonadiabatic dynamics.
For asymmetric site-exciton models, the deviation between two dynamics methods
is observed. By adding the "zero point" (ZP) correction into the electronic
degrees of freedom in the CAMH dynamics, the long-time asymptotic limit can be
recovered. Besides the ZP correction for the "electronic" mapping angular
momenta, the introduction of the so-called adiabatic renormalization to build
the reduced Hamiltonian for the fast-bath modes significantly improves the
performance of the CAMH dynamics. | Source: | arXiv, 1811.0257 | Services: | Forum | Review | PDF | Favorites |
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