An overview of our recent work on the extension of Linear Coupled Cluster Response Theory to compute Near-Edge Absorption Fine Structures [1,2,3], photoionization cross-sections [5] as well as other linear response properties of atoms and molecules in resonant frequency regions [3,4] will be presented. [1] S. Coriani, O. Christiansen, T. Fransson, P. Norman, Phys. Rev. A 2012, 85, 022507 [2] S. Coriani, T. Fransson, O. Christiansen, P. Norman J. Chem. Theory Comp. 2012, 8, 1616 [3] T. Fransson, S. Coriani, O. Christiansen, P. Norman, Submitted to J. Chem. Phys. [4] S. Coriani, J. Kauczor, P. Norman, O. Christiansen, to be submitted [5] J. Cukras, S. Coriani, P. Decleva, O. Christiansen, P. Norman, , to be submitted.

Correlated Response Methods to model absorption, ionization and scattering phenomena

CORIANI, Sonia
2013-01-01

Abstract

An overview of our recent work on the extension of Linear Coupled Cluster Response Theory to compute Near-Edge Absorption Fine Structures [1,2,3], photoionization cross-sections [5] as well as other linear response properties of atoms and molecules in resonant frequency regions [3,4] will be presented. [1] S. Coriani, O. Christiansen, T. Fransson, P. Norman, Phys. Rev. A 2012, 85, 022507 [2] S. Coriani, T. Fransson, O. Christiansen, P. Norman J. Chem. Theory Comp. 2012, 8, 1616 [3] T. Fransson, S. Coriani, O. Christiansen, P. Norman, Submitted to J. Chem. Phys. [4] S. Coriani, J. Kauczor, P. Norman, O. Christiansen, to be submitted [5] J. Cukras, S. Coriani, P. Decleva, O. Christiansen, P. Norman, , to be submitted.
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11368/2833604
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