50 citations · 136 across the 5 of their papers we have counts for
5 papers
Spin Coupling Effect on Geometry-Dependent X-ray Absorption of Diradicals
Scott M. Garner, Eric A. Haugen, Stephen R. Leone +1
We theoretically investigate the influence of diradical electron spin coupling on the time-resolved X-ray absorption spectra of the photochemical ring opening of furanone. We predi…
Femtosecond Symmetry Breaking and Coherent Relaxation of Methane Cations at the Carbon K-Edge
Enrico Ridente, Diptarka Hait, Eric A. Haugen +4
Understanding the relaxation pathways of photoexcited molecules is essential to gain atomistic level insight into photochemistry. Herein, we perform a time-resolved study of ultraf…
Ultrafast X-ray Spectroscopy of Intersystem Crossing in Hexafluoroacetylacetone: Chromophore Photophysics and Spectral Changes in the Face of Electron Withdrawing Groups
Eric A. Haugen, Diptarka Hait, Valeriu Scutelnic +3
Intersystem crossings between singlet and triplet states represent a crucial relaxation pathway in photochemical processes. Herein, we probe the intersystem crossing in hexafluoro-…
Jahn-Teller Distortion and Dissociation of CCl by Transient X-ray Spectroscopy Simultaneously at the Carbon K- and Chlorine L-Edge
Andrew D. Ross, Diptarka Hait, Valeriu Scutelnic +6
X-ray Transient Absorption Spectroscopy (XTAS) and theoretical calculations are used to study CCl prepared by 800 nm strong-field ionization. XTAS simultaneously probes atoms…
Accurate prediction of core-level spectra of radicals at density functional theory cost via square gradient minimization and recoupling of mixed configurations
Diptarka Hait, Eric A. Haugen, Zheyue Yang +3
State-specific orbital optimized approaches are more accurate at predicting core-level spectra than traditional linear-response protocols, but their utility had been restricted on…