S. Miyabe¹, B. K. McFarland¹, J. P. Farrell^1,2, F. Tarantelli³, A. Aguilar⁴, N. Berrah⁵, C. Bostedt⁶, J. D. Bozek⁶, P.H. Bucksbaum^1,2, J. C. Castagna⁶, R. N. Coffee⁶, J. P. Cryan^1,2, L. Fang⁵, R. Feifel⁷, K. J. Gaffney¹, J. M. Glownia^1,2, M. Mucke⁷, B. Murphy⁵, A. Natan¹, T. Osipov⁵ , V. S. Petrović^1,2, S. Schorb⁶, Th. Schultz⁹, L. S. Spector^1,2, M. Swiggers⁶, I. Tenney^1,2, S. Wang^1,2, J. L. White^1,2, W. White⁶,  M. Gühr¹, and T.J. Martinez^1,8

¹ PULSE Institute, SLAC National Accelerator Laboratory, Menlo Park, CA 94025, USA

² Departments of Physics and Applied Physics, Stanford University, Stanford, CA 94305, USA

³ Dipartimento di Chimica, Universita di Perugia, and ISTM-CNR, 06123 Perugia, Italy

⁴ Advanced Light Source, Lawrence Berkeley National Lab, Berkeley, CA 94720, USA

⁵ Physics Department, Western Michigan University, Kalamazoo, MI 49008, USA

⁶ LCLS, SLAC National Accelerator Laboratory, Menlo Park, CA 94025, USA

⁷ Department of Physics and Astronomy, Uppsala University, Uppsala, Sweden

⁸ Department of Chemistry, Stanford University, Stanford, CA 94305, USA

⁹ Max-Born-Institut, 12489 Berlin, Germany

We present an approach to compute the Auger decay rates of molecules in various electronic and nuclear configurations. Such properties are measured at free electron laser facilities to probe ultrafast dynamics of molecules. Some experiments can resolve even femtosecond dynamics, and they provide wealth of information whose interpretation presents a formidable challenge to theory. We will show that our method captures important aspect of Auger transitions, and here we will analyze the data collected at the linac coherent light source to investigate the non-Born-Oppenheimer dynamics of photoexcited thymine. We plan to combine this method with our nuclear dynamics simulations in the future.

https://conf-slac.stanford.edu/ssrl-lcls-2013/sites/conf-slac.stanford.e...