All Publications


  • Time-Resolved X-ray Photoelectron Spectroscopy: Ultrafast Dynamics in CS2 Probed at the S 2p Edge. The journal of physical chemistry letters Gabalski, I., Allum, F., Seidu, I., Britton, M., Brenner, G., Bromberger, H., Brouard, M., Bucksbaum, P. H., Burt, M., Cryan, J. P., Driver, T., Ekanayake, N., Erk, B., Garg, D., Gougoula, E., Heathcote, D., Hockett, P., Holland, D. M., Howard, A. J., Kumar, S., Lee, J. W., Li, S., McManus, J., Mikosch, J., Milesevic, D., Minns, R. S., Neville, S., Papadopoulou, C. C., Passow, C., Razmus, W. O., Röder, A., Rouzée, A., Simao, A., Unwin, J., Vallance, C., Walmsley, T., Wang, J., Rolles, D., Stolow, A., Schuurman, M. S., Forbes, R. 2023: 7126-7133

    Abstract

    Recent developments in X-ray free-electron lasers have enabled a novel site-selective probe of coupled nuclear and electronic dynamics in photoexcited molecules, time-resolved X-ray photoelectron spectroscopy (TRXPS). We present results from a joint experimental and theoretical TRXPS study of the well-characterized ultraviolet photodissociation of CS2, a prototypical system for understanding non-adiabatic dynamics. These results demonstrate that the sulfur 2p binding energy is sensitive to changes in the nuclear structure following photoexcitation, which ultimately leads to dissociation into CS and S photoproducts. We are able to assign the main X-ray spectroscopic features to the CS and S products via comparison to a first-principles determination of the TRXPS based on ab initio multiple-spawning simulations. Our results demonstrate the use of TRXPS as a local probe of complex ultrafast photodissociation dynamics involving multimodal vibrational coupling, nonradiative transitions between electronic states, and multiple final product channels.

    View details for DOI 10.1021/acs.jpclett.3c01447

    View details for PubMedID 37534743

  • Photon energy-resolved velocity map imaging from spectral domain ghost imaging NEW JOURNAL OF PHYSICS Wang, J., Driver, T., Allum, F., Papadopoulou, C. C., Passow, C., Brenner, G., Li, S., Duesterer, S., Tul Noor, A., Kumar, S., Bucksbaum, P. H., Erk, B., Forbes, R., Cryan, J. P. 2023; 25 (3)
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  • Unsupervised Generative Modeling Using Matrix Product States PHYSICAL REVIEW X Han, Z., Wang, J., Fan, H., Wang, L., Zhang, P. 2018; 8 (3)