Time-dependent multiconfiguration theory for ultrafast electronic dynamics of molecules in an intense laser field: Electron correlation and energy redistribution among natural orbitals

Chemical Physics

Volumn 366, Issue 1-3, 2009, Pages 46-53

  Kato, Tsuyoshi ^a   Kono, Hirohiko ^b  

^a UNIVERSITY OF TOKYO   (Japan)

^b TOHOKU UNIVERSITY   (Japan)

Author keywords

Electron correlations; Intense laser field; Multiconfiguration time dependent Hartree Fock (MCTDHF); Natural orbitals

Indexed keywords

EID: 70549113231     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2009.09.017     Document Type: Article

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16. K}, i.e., complete active space expansion. Therefore the relation of Eq. (A1) rigorously holds for our approximate wave function of Eq. (4). Note that the resolution relation is only applicable for the wave function defined at the same time t where the spin-orbitals and/or the Slater determinants are defined.
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