Reduced quantum dynamics with arbitrary bath spectral densities: Hierarchical equations of motion based on several different bath decomposition schemes
文献类型：期刊论文
| 作者 | Liu, Hao; Zhu, Lili; Bai, Shuming; Shi, Qiang |
| 刊名 | JOURNAL OF CHEMICAL PHYSICS
 |
| 出版日期 | 2014-04-07 |
| 卷号 | 140期号:13 |
| ISSN号 | 0021-9606 |
| DOI | 10.1063/1.4870035 |
| 英文摘要 | We investigated applications of the hierarchical equation of motion (HEOM) method to perform high order perturbation calculations of reduced quantum dynamics for a harmonic bath with arbitrary spectral densities. Three different schemes are used to decompose the bath spectral density into analytical forms that are suitable to the HEOM treatment: (1) The multiple Lorentzian mode model that can be obtained by numerically fitting the model spectral density. (2) The combined Debye and oscillatory Debye modes model that can be constructed by fitting the corresponding classical bath correlation function. (3) A new method that uses undamped harmonic oscillator modes explicitly in the HEOM formalism. Methods to extract system-bath correlations were investigated for the above bath decomposition schemes. We also show that HEOM in the undamped harmonic oscillator modes can give detailed information on the partial Wigner transform of the total density operator. Theoretical analysis and numerical simulations of the spin-Boson dynamics and the absorption line shape of molecular dimers show that the HEOM formalism for high order perturbations can serve as an important tool in studying the quantum dissipative dynamics in the intermediate coupling regime. (C) 2014 AIP Publishing LLC. |
| 语种 | 英语 |
| WOS记录号 | WOS:000334577300007 |
| 出版者 | AMER INST PHYSICS |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/50435]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Liu, Hao |
| 作者单位 | Chinese Acad Sci, Beijing Natl Lab Mol Sci, Inst Chem, State Key Lab Struct Chem Unstable & Stable Speci, Beijing 100190, Peoples R China |
| 推荐引用方式 GB/T 7714 | Liu, Hao,Zhu, Lili,Bai, Shuming,et al. Reduced quantum dynamics with arbitrary bath spectral densities: Hierarchical equations of motion based on several different bath decomposition schemes[J]. JOURNAL OF CHEMICAL PHYSICS,2014,140(13). |
| APA | Liu, Hao,Zhu, Lili,Bai, Shuming,&Shi, Qiang.(2014).Reduced quantum dynamics with arbitrary bath spectral densities: Hierarchical equations of motion based on several different bath decomposition schemes.JOURNAL OF CHEMICAL PHYSICS,140(13). |
| MLA | Liu, Hao,et al."Reduced quantum dynamics with arbitrary bath spectral densities: Hierarchical equations of motion based on several different bath decomposition schemes".JOURNAL OF CHEMICAL PHYSICS 140.13(2014). |
入库方式： OAI收割
来源：化学研究所
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