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On the Basis Set Selection for Calculations of Core-Level States: Different Strategies to Balance Cost and Accuracy
Free accessChemRxiv | 2020|Keywords: Theory - Computational -
On the Accurate Description of Photoionization Dynamical Parameters
Free accessChemRxiv | 2020|Keywords: Theory - Computational -
Magnetic Circular Dichroism of Naphthalene Derivatives: A Coupled Cluster Singles and Approximate Doubles and Time-Dependent Density Functional Theory Study
Free accessChemRxiv | 2020|Keywords: Theory - Computational -
Multi-reference Approach to the Computation of Double-Core-Hole Spectra
Free accessChemRxiv | 2021|Keywords: Theory - Computational -
How to Stay out of Trouble in RIXS Calculations Within Equation-of-Motion Coupled-Cluster Damped Response Theory? Safe Hitchhiking in the Excitation Manifold by Means of Core-Valence Separation
Free accessChemRxiv | 2019|Keywords: Theory - Computational -
Excited State Absorption of Uracil in the Gas Phase: Mapping the Main Decay Paths by Different Electronic Structure Methods
Free accessChemRxiv | 2020|Keywords: Theory - Computational -
Equation-of-Motion Coupled-Cluster Theory to Model L-edge X-Ray Absorption and Photoelectron Spectra
Free accessChemRxiv | 2020|Keywords: Theory - Computational -
The Interplay of Open-Shell Spin-Coupling and Jahn-Teller Distortion in Benzene Radical Cation Probed by X-ray Spectroscopy
Free accessChemRxiv | 2020|Keywords: Theory - Computational
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