Assessing the accuracy of simplified coupled cluster methods for electronic excited states in f0 actinide compounds-Reference-Cited by-同舟云学术

Assessing the accuracy of simplified coupled cluster methods for electronic excited states in f0 actinide compounds

Published:2019 Issue:35 Volume:21 Page:19039-19053
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Nowak Artur¹²³⁴⁵^ORCID,Tecmer Paweł¹²³⁴⁵^ORCID,Boguslawski Katharina¹²³⁴⁵^ORCID

Affiliation:

1. Institute of Physics

2. Faculty of Physics

3. Astronomy, and Informatics

4. Nicolaus Copernicus University in Toruń

5. 87-100 Toruń

Abstract

We scrutinize the performance of different variants of equation of motion coupled cluster (EOM-CC) methods to predict electronic excitation energies and excited state potential energy surfaces in closed-shell actinide species.

Funder

H2020 Marie Skłodowska-Curie Actions

Narodowe Centrum Nauki

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2019/CP/C9CP03678D

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4. Fluorescence and Phosphorescence from Higher Excited States of Organic Molecules

5. Astronomical complex organic molecules: Quantum chemistry meets rotational spectroscopy

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