Accessing Position Space Wave Functions in Band Structure Calculations of Periodic Systems─A Generalized, Adapted Numerov Implementation for One-, Two-, and Three-Dimensional Quantum Problems-Reference-Cited by-同舟云学术

Accessing Position Space Wave Functions in Band Structure Calculations of Periodic Systems─A Generalized, Adapted Numerov Implementation for One-, Two-, and Three-Dimensional Quantum Problems

Published:2023-08-11 Issue:33 Volume:14 Page:7395-7403
ISSN:1948-7185
Container-title:The Journal of Physical Chemistry Letters
language:en
Short-container-title:J. Phys. Chem. Lett.

Author:

Gamper Jakob¹^ORCID,Kluibenschedl Florian¹²,Weiss Alexander K. H.³,Hofer Thomas S.¹^ORCID

Affiliation:

1. University of Innsbruck, Theoretical Chemistry Division Institute of General Inorganic and Theoretical Chemistry, Center for Chemistry and Biomedicine, Innrain 80-82, A-6020 Innsbruck, Austria

2. Institute of Science and Technology Austria (ISTA), Am Campus 1, 3400 Klosterneuburg, Austria

3. University of Innsbruck, Research Institute for Biomedical Aging Research, Rennweg 10, A-6020 Innsbruck, Austria

Funder

Universität Innsbruck

Publisher

American Chemical Society (ACS)

Subject

General Materials Science,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.3c01707

Reference29 articles.

1. Quantisierung als Eigenwertproblem

2. A novel discrete variable representation for quantum mechanical reactive scattering via the S‐matrix Kohn method

3. Use of the discrete variable representation basis in nuclear physics

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