Quantum chemical calculations of X-ray emission spectroscopy

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Quantum chemical calculations of X-ray emission spectroscopy

The calculation of X-ray emission spectroscopy with equation of motion coupled cluster theory (EOM-CCSD), time dependent density functional theory (TDDFT) and resolution of the identity single excitation configuration interaction with second order perturbation theory (RI-CIS(D)) is studied. These m...

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Bibliographic Details
Main Authors:	Wadey, J.D., Besley, Nicholas A.
Format:	Article
Published:	American Chemical Society 2014
Subjects:	TDDFT X-ray emission
Online Access:	https://eprints.nottingham.ac.uk/29878/

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