Quadratic response functions in the time-dependent four-component Hartree-Fock approximation
2004 (English)In: Journal of Chemical Physics, ISSN 0021-9606, Vol. 121, no 13, 6145-6154 p.Article in journal (Refereed) Published
The implementation of quadratic response function in the four-component Hartree-Fock approximation was discussed. It was implemented based on the Dirac-Coulomb Hamiltonian. The second-order response function enabled the calculation of non-linear, time-dependent, corrections of the molecular polarization and magnetization. The first order response function was determined to evaluate the second-order response function.
Place, publisher, year, edition, pages
2004. Vol. 121, no 13, 6145-6154 p.
Engineering and Technology
IdentifiersURN: urn:nbn:se:liu:diva-45615DOI: 10.1063/1.1785774OAI: oai:DiVA.org:liu-45615DiVA: diva2:266511