Theoretical prediction of shape-resonance-enhanced nuclear motion effects in molecular photionization

Technical Report · Sat Dec 01 04:00:00 EST 1979

DOI:https://doi.org/10.2172/1178334· OSTI ID:1178334

Dehmer, Joseph L. ^[1]; Dill, Dan ^[2]; Wallace, Scott ^[3]

---

1. Argonne National Laboratory (ANL), Argonne, IL (United States)
2. Boston Univ., MA (United States). Dept. of Chemistry
3. Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States). Center for Materials Science and Engineering

Shape resonances in molecular photoionization are predicted to induce strong non-Franck-Condon effects over a spectral range several times broader than the resonance half-width. This is manifested by large deviations from Franck-Condon vibrational intensity distributions and strong dependence of photoelectron angular distributions on the vibrational state of the residual ion. These effects are illustrated for the 3σ_g photoionization channel of N₂ in Figures 1 and 2 using the multiple-scattering model and the adiabatic nuclei approximation.

• Research Organization: Argonne National Laboratory (ANL), Argonne, IL (United States)
• Sponsoring Organization: USDOE
• DOE Contract Number: W-31109-ENG-38
• OSTI ID: 1178334
• Report Number(s): ANL--79-65-Pt.1
• Country of Publication: United States
• Language: English

Related Subjects

74 ATOMIC AND MOLECULAR PHYSICS