Search for dissertations about: "diatomics"
Found 2 swedish dissertations containing the word diatomics.
-
1. On the formation of small molecules by radiative association
Abstract : This thesis is devoted to the theoretical investigation of radiative association, which is one of the processes contributing to formation of molecules in the interstellar medium. The formation of the CN, SiN, SiP and CO molecules through radiative association of the corresponding atoms in their ground electronic states is studied by the means of classical and quantum dynamical calculations. READ MORE
-
2. Quantum chemical calculations of non-linear optical absorption
Abstract : This thesis represents a quantum chemical treatise ofvarious types of interactions between radiation and molecularsystems, with special emphasis on the nonlinear opticalprocesses of Multi-Photon Absorption and Excited StateAbsorption. Excitation energies, transition dipole moments,two-photon and three-photon tensor elements have beencalculated from different approaches; density functional theoryandab-initiotheory, employing different orders ofcorrelation treatment with the purpose to provide accuratevalues as well as evaluate the quality of the lower ordermethods. READ MORE
