Sökning: "Benoît CHAMPAGNE"

Hittade 1 avhandling innehållade orden Benoît CHAMPAGNE.

  1. 1. Theoretical Characterization of Optical Processes in Modecular Complexes

    Författare :Kai Liu; Yi Luo; Benoît CHAMPAGNE; KTH; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; one-photon absorption; two-photon absorption; surface-enhanced Raman scattering; Theoretical chemistry; Teoretisk kemi;

    Sammanfattning : The main theme of this thesis is to study effects of different environments on geometric and electronic structures, as well as optical responses, of molecules using time-(in)dependent density functional theory. Theoretical calculations have been carried out for properties that can be measured by conventional and advanced experimental techniques, including one-photon absorption (OPA), two-photon absorption (TPA), surface-enhanced Raman scattering (SERS) and second order nonlinear optical (NLO) response. LÄS MER