DICP OpenIR
Subject Area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)
Source PublicationInternational Conference on Theoretical and High Performance Computational Chemistry 2011
Conference NameInternational Conference on Theoretical and High Performance Computational Chemistry 2011
Conference Date2011-8-11
2011
Conference Place西安
Pages63-0
Publisher待补充
Publication Place待补充
Cooperation Status墙报
Department1101
Funding Organization中国科学院超级计算中心
AbstractThe 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.
Language英语
Document Type会议论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/115983
Collection中国科学院大连化学物理研究所
Corresponding AuthorHan KL(韩克利)
Recommended Citation
GB/T 7714
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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