Journal
CHEMICAL PHYSICS LETTERS
Volume 392, Issue 4-6, Pages 533-540Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/j.cplett.2004.05.106
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A multiconfiguration theory for electronic dynamics of molecules in an intense laser field is developed based on the Dirac Frenkel time-dependent variational principle. The equations of motion for spin-orbitals and configuration-interaction coefficients are explicitly given. Numerical calculations of electronic dynamics of a hydrogen molecule in an intense electronic field are performed as a practical application of the theory. (C) 2004 Elsevier B.V. All rights reserved.
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