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Application of the time-dependent Hartree grid-configuration interaction method to the desorption of diatomic molecules from solid surfaces

AuthorsCampos-Martínez, José ; Coalson, R.D.
Issue Date1993
PublisherAmerican Institute of Physics
CitationJournal of Chemical Physics 99: 9629- 9636 (1993)
AbstractWe study UV laser induced photodesorption of diatomic molecules from solid surfaces by means of the time-dependent Hartree grid-configuration interaction (TDHG-CI) method [J. Chem. Phys. 93, 4740 (1990)]. Converged partial and total absorption cross sections are computed in several cases to demonstrate the flexibility and accuracy of the method. Comparison to TDHG results without CI corrections is also made. The failure of simple TDHG dynamics to reproduce state resolved rotational cross sections in various strong coupling limits is noted as a justification for the development of TDHG-CI algorithms. © 1993 American Institute of Physics.
Identifiersdoi: 10.1063/1.465496
issn: 0021-9606
Appears in Collections:(CFMAC-IFF) Artículos
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