Andersson, J.

Carravetta, V.

Couto, R.C.

Eland, J.H.D.

Feifel, R.

gren, H.

Hult Roos, A.

Koulentianos, D.

Simon, M.

Squibb, R.J.

Wallner, M.

Using a magnetic bottle multi electron time of flight spectrometer in combination with synchrotron radiation, double core hole pre edge and continuum states involving the K shell of the carbon atoms in n butane  n C4H10  have been identified, where the ejected core electron s  and the emitted Auger electrons from the decay of such states have been detected in coincidence. An assignment of the main observed spectral features is based on the results of multi configurational self consistent field  MCSCF  calculations for the excitation energies and static exchange  STEX  calculations for energies and intensities. MCSCF results have been analyzed in terms of static and dynamic electron relaxation as well as electron correlation contributions to double core hole state ionization potentials. The analysis of applicability of the STEX method, which implements the one particle picture toward the complete basis set limit, is motivated by the fact that it scales well toward large species. We find that combining the MCSCF and STEX techniques is a viable approach to analyze double core hole spectr

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Formation and relaxation of K 2 and K 2V double core hole states in n butane

Formation and relaxation of K 2 and K 2V double core hole states in n butane

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