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Solving for the time-dependent multi-configuration hartree fock equations based on sine-discrete variable representation
Li, Wenliang1,2
关键词Laser-atom Interaction Sine Discrete Variable Representation Finite Basis Representation Mctdhf
刊名JOURNAL OF MATHEMATICAL CHEMISTRY
2013-06-01
DOI10.1007/s10910-013-0161-8
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
关键词[WOS]MULTIPHOTON IONIZATION ; DYNAMICS ; SYSTEMS ; HELIUM
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.
语种英语
WOS记录号WOS:000318509800003
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被引频次:2[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://cas-ir.dicp.ac.cn/handle/321008/137599
专题中国科学院大连化学物理研究所
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
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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.
APA Li, Wenliang.(2013).Solving for the time-dependent multi-configuration hartree fock equations based on sine-discrete variable representation.JOURNAL OF MATHEMATICAL CHEMISTRY,51(6),1521-1531.
MLA Li, Wenliang."Solving for the time-dependent multi-configuration hartree fock equations based on sine-discrete variable representation".JOURNAL OF MATHEMATICAL CHEMISTRY 51.6(2013):1521-1531.
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