Formation and relaxation of excited states in solution: A new time dependent polarizable continuum model based on time dependent density functional theory
نویسندگان
چکیده
منابع مشابه
Formation and relaxation of excited states in solution: a new time dependent polarizable continuum model based on time dependent density functional theory.
In this paper a novel approach to study the formation and relaxation of excited states in solution is presented within the integral equation formalism version of the polarizable continuum model. Such an approach uses the excited state relaxed density matrix to correct the time dependent density functional theory excitation energies and it introduces a state-specific solvent response, which can ...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2006
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.2183309