Near-resonant absorption in the time-dependent self-consistent field and multiconfigurational self-consistent field approximations
2001 (English)In: Journal of Chemical Physics, ISSN 0021-9606, Vol. 115, no 22, 10323-10334 p.Article in journal (Refereed) Published
Computationally tractable expressions for the evaluation of the linear response function in the multiconfigurational self-consistent field approximation were derived and implemented. The finite lifetime of the electronically excited states was considered and the linear response function was shown to be convergent in the whole frequency region. This was achieved through the incorporation of phenomenological damping factors that lead to complex response function values.
Place, publisher, year, edition, pages
2001. Vol. 115, no 22, 10323-10334 p.
Engineering and Technology
IdentifiersURN: urn:nbn:se:liu:diva-47170DOI: 10.1063/1.1415081OAI: oai:DiVA.org:liu-47170DiVA: diva2:268066