Ab Initio Wavelength-Dependent Raman Spectra: Placzek Approximation and Beyond-Reference-Cited by-同舟云学术

Ab Initio Wavelength-Dependent Raman Spectra: Placzek Approximation and Beyond

Published:2019-12-09 Issue:1 Volume:16 Page:576-586
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Walter Michael¹²³^ORCID,Moseler Michael¹³⁴⁵

Affiliation:

1. Fraunhofer IWM, MikroTribologie Centrum μTC, Wöhlerstrasse 11, D-79108 Freiburg, Germany

2. FIT Freiburg Centre for Interactive Materials and Bioinspired Technologies, Georges-Köhler-Allee 105, 79110 Freiburg, Germany

3. Cluster of Excellence livMatS @ FIT − Freiburg Center for Interactive Materials and Bioinspired Technologies, University of Freiburg, Georges-Köhler-Allee 105, D-79110 Freiburg, Germany

4. Physikalisches Institut, Universität Freiburg, Herrmann-Herder-Straße 3, D-79104 Freiburg, Germany

5. Freiburger Materialforschungszentrum, Universität Freiburg, Stefan-Meier-Straße 21, D-79104 Freiburg, Germany

Funder

Association of Science-Technology Centers

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.9b00584

Reference93 articles.

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2. Infrared intensities and Raman-scattering activities within density-functional theory

3. Molecular vibrations of [n]oligoacenes (n=2−5 and 10) and phonon dispersion relations of polyacene

4. Raman spectroscopy of polyconjugated molecules and materials: confinement effect in one and two dimensions

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