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

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: http://hdl.handle.net/11368/2833604
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