The Stieltjes imaging technique is a widely used method to compute the photoionization cross sections, see e.g. [1,3]. We present results of applying the Stieltjes technique to Lanczos pseudospectra obtained within Coupled-Cluster response theory [2]. The code for this procedure is to be embedded within the DALTON software suite. References [1] M. Stener, P. Decleva, A. Lisini, Journal of Electron Spectroscopy and Related Phenomena 74, 29 (1995) [2] S. Coriani, O. Christiansen, T. Fransson, P. Norman, Physical Review A 85, 022507 (2012) [3] K. Gokhberg, V. Vysotskiy, L. S. Cederbaum, L. Storchi, F. Tarantelli, V. Averbukh, The Journal of Chemical Physics 130, 064104 (2009)
Photoionization cross sections by Stieltjes imaging technique applied to Coupled-Cluster Lanczos pseudospectra
CUKRAS, JANUSZ WIKTOR;CORIANI, Sonia;DECLEVA, PIETRO
2012-01-01
Abstract
The Stieltjes imaging technique is a widely used method to compute the photoionization cross sections, see e.g. [1,3]. We present results of applying the Stieltjes technique to Lanczos pseudospectra obtained within Coupled-Cluster response theory [2]. The code for this procedure is to be embedded within the DALTON software suite. References [1] M. Stener, P. Decleva, A. Lisini, Journal of Electron Spectroscopy and Related Phenomena 74, 29 (1995) [2] S. Coriani, O. Christiansen, T. Fransson, P. Norman, Physical Review A 85, 022507 (2012) [3] K. Gokhberg, V. Vysotskiy, L. S. Cederbaum, L. Storchi, F. Tarantelli, V. Averbukh, The Journal of Chemical Physics 130, 064104 (2009)Pubblicazioni consigliate
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