FHI
The NOMAD Laboratory

Novel Materials Discovery at the FHI Molecular Physics Department
of the Max Planck Society

Person

Evgeny Moerman

Moerman

Member since 06/2020
Phone: +49 30 8413 4839
Room: T 1.14
Email: moerman@fhi.mpg.de

RESEARCH TOPICS

METHODS

2025

Articles

  1. A. Grüneis, E. Moerman, M. Scheffler, T. Shen, I. Y. Zhang,
    Coupled-cluster theory for the ground state and for excitations.
    Submitted for publication in "Roadmap for Advancement of the FHI-aims Software Package", September 5, 2024;
    https://arxiv.org/pdf/2410.22798
    Preprint Download (2024): arXiv

  2. E. Moerman, A. Gallo, A. Irmler, T. Schäfer, F. Hummel, A. Grüneis, M. Scheffler,
    Finite-size Effects in periodic EOM-CCSD for Ionization Energies and Electron Affinities: Convergence Rate and Extrapolation to the Thermodynamic Limit.
    Submitted for publication September 5, 2024, https://arxiv.org/abs/2409.03721
    Preprint Download (2024): arXiv

2022

Articles

  1. E. Moerman, F. Hummel, A. Grüneis, A. Irmler, M. Scheffler,
    Interface to high-performance periodic coupled-cluster theory calculations with atom-centered, localized basis functions.
    Journal of Open Source Software, 7 (74), 4040; https://doi.org/10.21105/joss.04040
    Download: pdf

Within the publication lists the label [abs,src,ps] links to abstract, source file, and postscript version of the respective paper on the e-print archives of xxx.lanl.gov. Source and postscript files are usually transfered as gz-compressed tar-files. If your browser cannot automatically unpack those files you should proceed as follows:

Save the file as paper.tar.gz Execute the following commands (on a UNIX machine): gunzip paper.tar.gz tar -xvf paper.tar

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