GLORIA

GEOMAR Library Ocean Research Information Access

X

Your email was sent successfully. Check your inbox.

An error occurred while sending the email. Please try again.

Proceed reservation?

Export
back to result list
  • 1
    Online Resource
    Online Resource
    Three-dimensional time-dependent wave-packet calculations of OBrO absorption spectra
    AIP Publishing ; 2005
    In:  The Journal of Chemical Physics Vol. 123, No. 6 ( 2005-08-08)
    Details
    In: The Journal of Chemical Physics, AIP Publishing, Vol. 123, No. 6 ( 2005-08-08)
    Abstract: The absorption spectra of the C(A22)←X(B12) transition of the OBrO molecule are calculated using three-dimensional time-dependent wave-packet method in Radau coordinates for a total angular momentum J=0. The wave packet is propagated using the split operator technique associated with fast Fourier transform. Employing the basis functions obtained by one-dimensional Fourier grid Hamiltonian method, the initial wave packet is calculated directly on the three-dimensional Fourier grid. The numerical model is characterized by simplicity and efficiency. The ab initio potential surfaces for the C(A22) and X(B12) states are used in the calculation. The calculated absorption spectra of the C(A22)←X(B12) transition of OBrO molecule agree well with the experimental results.
    Type of Medium: Online Resource
    ISSN: 0021-9606 , 1089-7690
    URL: Article
    DOI: 10.1063/1.2000259
    Language: English
    Publisher: AIP Publishing
    Publication Date: 2005
    detail.hit.zdb_id: 3113-6
    detail.hit.zdb_id: 1473050-9
    Location Call Number Limitation Availability
    BibTip Others were also interested in ...
    Online Resource
Close ⊗
This website uses cookies and the analysis tool Matomo. More information can be found here...