The necessity of periodic boundary conditions for the accurate calculation of crystalline terahertz spectra-Reference-Cited by-同舟云学术

The necessity of periodic boundary conditions for the accurate calculation of crystalline terahertz spectra

Published:2021 Issue:36 Volume:23 Page:20038-20051
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Banks Peter A.¹^ORCID,Burgess Luke¹,Ruggiero Michael T.¹^ORCID

Affiliation:

1. Department of Chemistry, University of Vermont, 82 University Place, Burlington, Vermont 05405, USA

Abstract

Terahertz vibrational spectroscopy has emerged as a powerful spectroscopic technique, providing valuable information regarding long-range interactions – and associated collective dynamics – occurring in solids.

Funder

American Chemical Society Petroleum Research Fund

National Science Foundation

University of Vermont

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2021/CP/D1CP02496E

Reference125 articles.

1. 25th Anniversary Article: Organic Field-Effect Transistors: The Path Beyond Amorphous Silicon

2. Probing Charge Carrier Dynamics in Porphyrin-Based Organic Semiconductor Thin Films by Time-Resolved THz Spectroscopy

3. Exploring Dynamics in the Far-Infrared with Terahertz Spectroscopy

4. Characterization of the Pore Structure of Functionalized Calcium Carbonate Tablets by Terahertz Time-Domain Spectroscopy and X-Ray Computed Microtomography

5. Probing the Mechanochemistry of Metal–Organic Frameworks with Low-Frequency Vibrational Spectroscopy

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