Probing vibrational coupling via a grid‐based quantum approach—an efficient strategy for accurate calculations of localized normal modes in solid‐state systems-Reference-Cited by-同舟云学术

Probing vibrational coupling via a grid‐based quantum approach—an efficient strategy for accurate calculations of localized normal modes in solid‐state systems

Published:2018-10-05 Issue:26 Volume:39 Page:2196-2209
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J Comput Chem

Author:

Kuenzer Ulrich¹^ORCID,Klotz Martin¹,Hofer Thomas S.¹^ORCID

Affiliation:

1. University of Innsbruck, Institute of General, Inorganic and Theoretical Chemistry, Innrain 80‐82 6020 Innsbruck Austria

Funder

Amt der Tiroler Landesregierung

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.25533

Reference86 articles.

1. Near Infrared Spectroscopy: fundamentals, practical aspects and analytical applications

2. Molecular Vibrations: The Theory of Infrared and Raman Vibrational Spectra

3. Anharmonic corrections to vibrational transition intensities

4. Simple(r) algebraic equation for transition moments of fundamental transitions in vibrational second-order perturbation theory

5. Anharmonic vibrational properties by a fully automated second-order perturbative approach

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