Macroscopic quantum electrodynamics and density functional theory approaches to dispersion interactions between fullerenes-Reference-Cited by-同舟云学术

Macroscopic quantum electrodynamics and density functional theory approaches to dispersion interactions between fullerenes

Published:2020 Issue:40 Volume:22 Page:23295-23306
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Das Saunak¹²³⁴⁵^ORCID,Fiedler Johannes⁶⁷⁸⁴⁹^ORCID,Stauffert Oliver⁶⁷⁸⁴,Walter Michael⁶⁷⁸⁴¹⁰^ORCID,Buhmann Stefan Yoshi⁶⁷⁸⁴,Presselt Martin¹²³⁴⁵^ORCID

Affiliation:

1. Institute of Physical Chemistry (IPC)

2. Friedrich Schiller University Jena

3. 07743 Jena

4. Germany

5. Leibniz Institute of Photonic Technology (IPHT)

6. Institute of Physics

7. Albert-Ludwigs University of Freiburg

8. 79104 Freiburg

9. Centre for Materials Science and Nanotechnology

10. FIT Freiburg Centre for Interactive Materials and Bioinspired Technologies

Abstract

Van der Waals potentials determine supramolecular structures of molecules in ground and long-lived electronically excited states. We investigate how macroscopic quantum electrodynamics can be used to efficiently describe such potentials based on (TD)DFT-derived polarizabilities.

Funder

Freiburg Institute for Advanced Studies, Albert-Ludwigs-Universität Freiburg

Bundesministerium für Bildung und Forschung

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2020/CP/D0CP02863K

Reference97 articles.

1. Dipole–Dipole Interaction Driven Self-Assembly of Merocyanine Dyes: From Dimers to Nanoscale Objects and Supramolecular Materials

2. Tuning the polarity and surface activity of hydroxythiazoles – extending the applicability of highly fluorescent self-assembling chromophores to supra-molecular photonic structures