Communication: X-ray absorption spectra and core-ionization potentials within a core-valence separated coupled cluster framework-Reference-Cited by-同舟云学术

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Communication: X-ray absorption spectra and core-ionization potentials within a core-valence separated coupled cluster framework

Published:2015-11-14 Issue:18 Volume:143 Page:181103
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Coriani Sonia¹²^ORCID,Koch Henrik³⁴^ORCID

Affiliation:

1. Dipartimento di Scienze Chimiche e Farmaceutiche, Università degli Studi di Trieste, I-34127 Trieste, Italy

2. Aarhus Institute of Advanced Studies, Aarhus University, DK-8000 Århus C, Denmark

3. Department of Chemistry, Norwegian University of Science and Technology, 7491 Trondheim, Norway

4. Department of Chemistry and the PULSE Institute, Stanford University, Stanford, California 94305, USA

Funder

Seventh Framework Programme (FP7)

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.4935712

Reference35 articles.

1. Coupled-cluster response theory for near-edge x-ray-absorption fine structure of atoms and molecules

2. Asymmetric-Lanczos-Chain-Driven Implementation of Electronic Resonance Convergent Coupled-Cluster Linear Response Theory

3. Carbon X-ray absorption spectra of fluoroethenes and acetone: A study at the coupled cluster, density functional, and static-exchange levels of theory

4. Calculating core-level excitations and x-ray absorption spectra of medium-sized closed-shell molecules with the algebraic-diagrammatic construction scheme for the polarization propagator

5. Calculating X-ray Absorption Spectra of Open-Shell Molecules with the Unrestricted Algebraic-Diagrammatic Construction Scheme for the Polarization Propagator

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1. Benchmark Study of Core-Ionization Energies with the Generalized Active Space-Driven Similarity Renormalization Group;Journal of Chemical Theory and Computation;2024-09-13

2. Time-Resolved Circular Dichroism in Molecules: Experimental and Theoretical Advances;Molecules;2024-08-27

3. MP2-Based Composite Extrapolation Schemes Can Predict Core-Ionization Energies for First-Row Elements with Coupled-Cluster Level Accuracy;The Journal of Physical Chemistry A;2024-08-09

4. Efficient State-Specific Natural Orbital Based Equation of Motion Coupled Cluster Method for Core-Ionization Energies: Theory, Implementation, and Benchmark;Journal of Chemical Theory and Computation;2024-07-29

5. Efficient Spin-Adapted Implementation of Multireference Algebraic Diagrammatic Construction Theory. I. Core-Ionized States and X-ray Photoelectron Spectra;The Journal of Physical Chemistry A;2024-07-04

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