DICP OpenIR
学科主题物理化学
Accurate theoretical calculation method of the mean field operator in the Multi-configuration time-dependent Hartree Fock frame
Xu WW(许文武); Li WL(李文亮); Han KL(韩克利)
会议文集International Conference on Theoretical and High Performance Computational Chemistry 2011
会议名称International Conference on Theoretical and High Performance Computational Chemistry 2011
会议日期2011-8-11
2011
会议地点西安
页码63-0
出版者待补充
出版地待补充
合作性质墙报
部门归属1101
主办者中国科学院超级计算中心
英文摘要The accurate theoretical expressions of the mean field operator associated with the Multi-configuration time-dependent Hartree Fock (MCTDHF) method are presented in this paper. Using a precise theoretical formula, derived without approximation, we can study the multi-electron correlation dynamics accurately. Some illustrative calculations have been carried out to check the accuracy of the expression of the mean field operator. The accurate ground energy of helium was obtained from the relaxation propagation in imaginary time. Then the intensity dependence of multiphoton ionization of helium in strong laser field is investigated, and the time evolution of total ionization probability, population on the ground state, electronic energy and dipole are also presented and discussed in detail. The results of illustrative calculations indicate the reliability of the accurate expression of the mean field operator.; The accurate theoretical expressions of the mean field operator associated with the Multi-configuration time-dependent Hartree Fock (MCTDHF) method are presented in this paper. Using a precise theoretical formula, derived without approximation, we can study the multi-electron correlation dynamics accurately. Some illustrative calculations have been carried out to check the accuracy of the expression of the mean field operator. The accurate ground energy of helium was obtained from the relaxation propagation in imaginary time. Then the intensity dependence of multiphoton ionization of helium in strong laser field is investigated, and the time evolution of total ionization probability, population on the ground state, electronic energy and dipole are also presented and discussed in detail. The results of illustrative calculations indicate the reliability of the accurate expression of the mean field operator.
语种英语
文献类型会议论文
条目标识符http://cas-ir.dicp.ac.cn/handle/321008/115983
专题中国科学院大连化学物理研究所
通讯作者Han KL(韩克利)
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Xu WW,Li WL,Han KL. Accurate theoretical calculation method of the mean field operator in the Multi-configuration time-dependent Hartree Fock frame[C]. 待补充:待补充,2011:63-0.
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