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Oscillator strength distribution in C3H6 isomers studied with the time-dependent density functional method in the continuum by Takashi Nakatsukasa; Kazuhiro Yabana is a Physics and Astronomy article available to read on EtoBox.
What is Oscillator strength distribution in C3H6 isomers studied with the time-dependent density functional method in the continuum about?
We present photoabsorption oscillator strengths for C 3 H 6 molecules with emphasis on the difference between isomers, cyclopropane and propylene. We use an iterative numerical method based on the time-dependent local density approximation with continuum, which we have recently developed. The oscillator strengths for the two isomers differ at photon energies above their ionization thresholds. The magnitude and the shape of the oscillator strength distribution are in good agreement with recent experiments. The differences between the isomers arise from difference in symmetry of electronic states and different behaviors of continuum excitations.
Who reads Oscillator strength distribution in C3H6 isomers studied with the time-dependent density functional method in the continuum?
It is typically read by researchers, students, and practitioners in Physics and Astronomy.
- Author
- Takashi Nakatsukasa; Kazuhiro Yabana
- Publisher
- Elsevier Science; Elsevier ; Elsevier BV (ISSN 0009-2614)
- Published
- 2003
- Language
- EN
- Field
- Physics and Astronomy (Physical Sciences)