NettetCross sections for the primary ionic states, calculated using Dyson orbitals, have been compared with those obtained with Hartree–Fock and Density Functional Theory to probe the impact of the correlation in the bound states on the photoionization observables. This mechanism is known as Herzberg–Teller intensity borrowing 39 (or equivalently as the Albrecht B-term in Raman spectroscopy 40 ). Because coupling to a vibration is required, the 0–0 peak...
Geometric phase effects in the coherent control of the branching …
Nettet7. mai 2024 · These transitions, which would normally be dark, appear as the peaks of a similar intensity of the π → π* transitions due to two main reasons: (i) these transitions are strongly mixed with the π → π* transitions, thus becoming slightly bright thanks to an intensity-borrowing mechanism, and (ii) the wavefunction overlap between the … NettetTwo mechanisms for intensity borrowing are considered: interaction of the vibrational transition moments in the ground electronic states, and coupling of the electronic transition moments responsible for resonance Raman enhancement. atak erp
Ab initio study of the n-π* electronic transition in acetone: …
Nettet14. jun. 2006 · The optimal pulse that enhances S(0) dissociation, on the other hand, creates a wave packet on the S(2) potential-energy surface of phenol via an intensity borrowing mechanism, thus avoiding geometric phase effects at … NettetA force-field model for the local electric field as a linear response to a frequency-dependent external electric field is presented based on a combined charge-transfer and point–dipole interaction (CT-PDI) force-field model for frequencies through … Nettet14. apr. 2024 · Rugby is a sport that is known for its physicality, intensity, and strategic gameplay. The principles of play for rugby refer to the key strategies and tactics used … asian roaring 20s hair and makeup