EOM-CC guide to Fock-space travel: the C2 edition-Reference-Cited by-同舟云学术

EOM-CC guide to Fock-space travel: the C2 edition

Published:2019 Issue: Volume:217 Page:514-532
ISSN:1359-6640
Container-title:Faraday Discussions
language:en
Short-container-title:Faraday Discuss.

Author:

Gulania Sahil¹²³⁴,Jagau Thomas-C.¹⁵⁶⁷^ORCID,Krylov Anna I.¹²³⁴⁸^ORCID

Affiliation:

1. Department of Chemistry

2. University of Southern California

3. Los Angeles

4. USA

5. University of Munich (LMU)

6. 81377 Munich

7. Germany

8. The Hamburg Centre for Ultrafast Imaging

Abstract

Electronic structure calculations for C₂, C₂⁻, and C₂²⁻ using the CC/EOM-CC family of methods. Results illustrate that EOM-CCSD provides an attractive alternative to MR approaches.

Funder

Army Research Office

Deutsche Forschungsgemeinschaft

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2019/FD/C8FD00185E

Reference90 articles.

1. One Molecule, Two Atoms, Three Views, Four Bonds?

2. Insights into the Perplexing Nature of the Bonding in C2 from Generalized Valence Bond Calculations

3. A Response to a Comment by G. Frenking and M. Hermann on: “The Quadruple Bonding in C2Reproduces the Properties of the Molecule”

4. Comment on “The Quadruple Bonding in C2Reproduces the Properties of the Molecule”

5. The Quadruple Bonding in C2 Reproduces the Properties of the Molecule

Cited by 18 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Transition probabilities and radiative lifetimes of C2−: A high level theoretical investigation;Journal of Quantitative Spectroscopy and Radiative Transfer;2024-07

2. Reference Energies for Valence Ionizations and Satellite Transitions;Journal of Chemical Theory and Computation;2024-05-22

3. Calcium Chemistry in Carbon-rich Circumstellar Environments: The Laboratory and Astronomical Discovery of Calcium Dicarbide, CaC₂ *;The Astrophysical Journal Letters;2024-05-01

4. Spectroscopy and ion thermometry of C2− using laser-cooling transitions;Physical Review A;2022-08-15

5. Diabatic Valence-Hole States in the C₂ Molecule: “Putting Humpty Dumpty Together Again”;The Journal of Physical Chemistry A;2022-05-11