Oscillator strength distribution in C3H6 isomers studied with the time-dependent density functional method in the continuum

Details Oscillator strength distribution in C3H6 isomers studied with the time-dependent density functional method in the continuum Oscillator strength distribution in C3H6 isomers studied with the time-dependent density functional method in the continuum

2003-02-20

arxiv.org/abs/physics/0302068v1

Chem.Phys.Lett. 374 (2003) 613-619

Physics

Chemical Physics

7 pages, 3 figures, use espcrc2

Scientific paper

10.1016/S0009-2614(03)00778-4

We present photoabsorption oscillator strengths for C3H6 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.

Affiliated with

Also associated with

No associations

Rating

Oscillator strength distribution in C3H6 isomers studied with the time-dependent density functional method in the continuum does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Oscillator strength distribution in C3H6 isomers studied with the time-dependent density functional method in the continuum, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Oscillator strength distribution in C3H6 isomers studied with the time-dependent density functional method in the continuum will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-724004