3 research outputs found

    A Study on Improvement Over Semi-Emiprical Methods Using General Joshi-Chhaya Model

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    A study of molecular Rydberg transitions of monofIuoroethylene and difluoroethylenes

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    743-748Molecular Rydberg transition of monofluoroethylene and difluoroethylenes has been studied employing RINDO (Rydberg Intermediate Neglect of Differential Overlap) method. Koopmans ionization potential and valence as well as Rydberg excitation band energies are calculated. These include singlet-singlet and singlet-triplet transition as well as singlet-triplet splitting energies. The results are compared with earlier theoretical and experimental results. The present singlet-triplet transitions (π→ π*) energies are very close to the experimental results. Singlet-singlet transition (π→ π*) also give good agreement with the experimental results
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