Stieltjes imaging

V. Averbukh, L.S. Cederbaum, Ab initio calculation of interatomic decay rates by a combination of the Fano ansatz, Green s-function methods, and the Stieltjes imaging technique, J. Chem. Phys. 123 (2005) 204107. 

V. Carravetta, H. Agren, Stieltjes imaging method for molecular Auger transition rates Application to the Auger spectrum of water, Phys. Rev. A 35 (1987) 1022. 

R.K. Nesbet, Stieltjes imaging method for computation of oscillator-strength distributions for complex atoms, Phys. Rev. A 14 (1976) 1065. 

P.W. Langhoff, C.T. Corcoran, Stieltjes imaging of photoabsorption and dispersion profiles, J. Chem. Phys. 61 (1974) 146. 

Because EXAFS spectra are usually recorded in solution they reflect an average structural picture of a system resulting from a thermodynamic averaging across fluctuating metal-ligand configurations. Moreover, these spectra correspond to excitations from core orbitals to the continuum, the inability of the finite basis sets employed in electronic structure calculations to properly describe the continuum wavefunctions leads to a spurious basis set dependences on the calculated spectra unless techniques such as Stieltjes imaging [142,143] are employed. Such methods are currently available to a number of electronic structure approaches in a non-relativistic framework (e.g., [144-147], but not yet for relativistic ones). 

Langhoff PW. Stieltjes imaging of atomic and molecular photoabsorption profiles. Chem Phys Lett. 1973 22 60-64. 

Cukras J, Coriani S, Decleva P, Christiansen O, Norman P. Photoionization cross section by Stieltjes imaging applied to coupled cluster Lanczos pseudo-spectra. J Chem Phys. 2013 139 094103. 

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