Solving for the time-dependent multi-configuration hartree fock equations based on sine-discrete variable representation
文献类型：期刊论文
| 作者 | Li, Wenliang1,2 |
| 刊名 | journal of mathematical chemistry
 |
| 出版日期 | 2013-06-01 |
| 卷号 | 51期号:6页码:1521-1531 |
| 关键词 | Laser-atom interaction Sine discrete variable representation Finite basis representation MCTDHF |
| 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. |
| 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 |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000318509800003 |
| 公开日期 | 2015-11-10 |
| 源URL | [http://159.226.238.44/handle/321008/137599]  |
| 专题 | 大连化学物理研究所_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 |
| 推荐引用方式 GB/T 7714 | 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. |
入库方式： OAI收割
来源：大连化学物理研究所
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