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Publication list for members of
E165 - Institute of Materials Chemistry
E165-03 Theoretical Chemistry
as authors or essentially involved persons
Printed Original Contributions
2022 - 2022

5 records


Publications in Scientific Journals


  1. D. Dinu, P. Bartl, P. Quoika, M. Podewitz, K. Liedl, H. Grothe, T. Loerting:
    "Increase of Radiative Forcing through Midinfrared Absorption by Stable CO2 Dimers?";
    Journal of Physical Chemistry A (invited), 126 (2022), 19; 2966 - 2975.

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  2. J. Doumont, F. Tran, P. Blaha:
    "Implementation of self-consistent MGGA functionals in augmented plane wave based methods";
    Physical Review B, 105 (2022), 195138.

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  3. P. Blaha, H. Chermette:
    "Dedication: Commemorative Issue in Honor of Professor Karlheinz Schwarz on the Occasion of His 80th Birthday";
    Computation, 10 (2022), 78.

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  4. O. Rubel, P. Blaha:
    "Length-Gauge Optical Matrix Elements in WIEN2k";
    Computation, 10 (2022), 22.

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  5. H. Saini, M. Laurien, P. Blaha, O. Rubel:
    "WloopPHI: A tool for ab initio characterization of Weyl semimetals";
    Computer Physics Communications, 270 (2022), 108147.

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