Electron–vibrational renormalization in fullerenes through <i>ab initio</i> and machine learning methods-Reference-Cited by-同舟云学术

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Electron–vibrational renormalization in fullerenes through ab initio and machine learning methods

Published:2024 Issue:30 Volume:26 Page:20310-20324
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

García-Risueño Pablo¹^ORCID,Armengol Eva²^ORCID,García-Cerdaña Àngel²,García-Lastra Juan María³^ORCID,Carrasco-Busturia David⁴⁵^ORCID

Affiliation:

1. Independent scholar, Barcelona, Spain

2. Artificial Intelligence Research Institute, (IIIA, CSIC) Carrer de Can Planes, s/n, Campus UAB, 08193 Bellaterra, Catalonia, Spain

3. Department of Energy Conversion and Storage, Technical University of Denmark, 2800 Kgs. Lyngby, Denmark

4. DTU Chemistry, Technical University of Denmark, DK-2800 Kgs. Lyngby, Denmark

5. Division of Theoretical Chemistry and Biology, School of Engineering Sciences in Chemistry, Biotechnology and Health, KTH Royal Institute of Technology, SE-100 44 Stockholm, Sweden

Abstract

We present the study of HOMO, LUMO and gap renormalizations due to zero-point motion of a relatively large number of fullerenes and fullerene derivatives.

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/CP/D4CP00632A

Reference119 articles.

1. Can optical spectroscopy directly elucidate the ground state of C20?

2. Diamantoide. Chemie mit Nano-Juwelen

3. C13NMR Chemical Shift of Single-Wall Carbon Nanotubes

4. F.Langa and J. F.Nierengarten , Fullerenes: principles and applications , RSC Publishing , 2007

5. T.Ishiguro , K.Yamaji and G.Saito , Organic Superconductors , Springer , 2nd edn, 2012

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