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Multi-configuration time dependent Hartree Fock method in three different representations

Li Wen-Liang Zhang Ji Yao Hong-Bin

Multi-configuration time dependent Hartree Fock method in three different representations

Li Wen-Liang, Zhang Ji, Yao Hong-Bin
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  • Cited By: 0
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  • Received Date:  16 January 2013
  • Accepted Date:  05 March 2013
  • Published Online:  20 June 2013

Multi-configuration time dependent Hartree Fock method in three different representations

  • 1. Xinjiang Institute of Engineering, Urumqi 830091, China
Fund Project:  Project supported by the Scientific Research Program of the Higher Education Institution of Xinjiang, China (Grant No. XJEDU2012S41) and the National Natural Science Foundation of China (Grant No. 10974198).

Abstract: As a powerful tool to deal with multi-electron dynamics in strong laser field, multi-configuration time-dependent Hartree Fock (MCTDHF) method has attracted great attention. In this paper, the strategy of the implement of the MCTDHF theory is illustrated in the paper in detail. We develop three types of Fortran source soft packages based on three different bases to study correlated dynamics of atoms and molecules in strong laser field. The calculated soft-packages based on the theory are introduced in detail. The calculations are performed by using the soft-package. The prospect of the MCTDHF approach to simulating the multi-electron dynamics in strong laser field are also presented.

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