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题名: Solving for the time-dependent multi-configuration hartree fock equations based on sine-discrete variable representation
作者: Li, Wenliang1, 2
关键词: Laser-atom interaction ;  Sine discrete variable representation ;  Finite basis representation ;  MCTDHF
刊名: JOURNAL OF MATHEMATICAL CHEMISTRY
发表日期: 2013-06-01
DOI: 10.1007/s10910-013-0161-8
卷: 51, 期:6, 页:1521-1531
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Chemistry, Multidisciplinary ;  Mathematics, Interdisciplinary Applications
研究领域[WOS]: Chemistry ;  Mathematics
英文摘要: A parallel quantum electrons wave packet computer code has been developed to study laser-atom interaction in the nonperturbative regime with attosecond resolution. The motion equations of the multi-configuration time-dependent hartree fock (MCTDHF) based on a sine discrete variable representation were solved by using an adaptive stepsize Runge-Kutta integrator of eight orders. Some efficient algorithms and strategies to accelerate the calculation velocity are introduced and discussed in details. Some illustrated imaginary time propagation and real time propagation have been respectively done in the paper. Single ionization probabilities calculated by using this one dimension MCTDHF model underestimate the accurate results calculated by solving time-dependent Schrodinger equation directly.
关键词[WOS]: MULTIPHOTON IONIZATION ;  DYNAMICS ;  SYSTEMS ;  HELIUM
语种: 英语
WOS记录号: WOS:000318509800003
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/137599
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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作者单位: 1.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China
2.Xinjiang Inst Engn, Urumqi 830091, Xinjiang, Peoples R China

Recommended Citation:
Li, Wenliang. Solving for the time-dependent multi-configuration hartree fock equations based on sine-discrete variable representation[J]. JOURNAL OF MATHEMATICAL CHEMISTRY,2013,51(6):1521-1531.
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