Veröffentlichungen "Hofmann, Fabian"

2020

Hofmann, Fabian:
The Sternheimer Approach to Linear Response Time-Dependent Density Functional Theory.
Bayreuth , 2020 . - X,123 S.
( Dissertation, 2020 , Universität Bayreuth, Fakultät für Mathematik, Physik und Informatik)
DOI: https://doi.org/10.15495/EPub_UBT_00005188

Hofmann, Fabian ; Kümmel, Stephan:
Molecular excitations from meta-generalized gradient approximations in the Kohn–Sham scheme.
In: The Journal of Chemical Physics. Bd. 153 (2020) Heft 11 . - 114106.
ISSN 0021-9606
DOI: https://doi.org/10.1063/5.0023657

2019

Hofmann, Fabian ; Schelter, Ingo ; Kümmel, Stephan:
Efficiently evaluating the Krieger-Li-Iafrate and common-energy-denominator approximations in the frequency-dependent Sternheimer scheme.
In: Physical Review A. Bd. 99 (2019) Heft 2 . - 022507.
ISSN 1094-1622
DOI: https://doi.org/10.1103/PhysRevA.99.022507

2018

Hofmann, Fabian ; Schelter, Ingo ; Kümmel, Stephan:
Linear response time-dependent density functional theory without unoccupied states : The Kohn-Sham-Sternheimer scheme revisited.
In: The Journal of Chemical Physics. Bd. 149 (2018) Heft 2 . - 024105.
ISSN 0021-9606
DOI: https://doi.org/10.1063/1.5030652

Garhammer, Julian ; Hofmann, Fabian ; Armiento, Rickard ; Kümmel, Stephan:
On the challenge to improve the density response with unusual gradient approximations.
In: The European Physical Journal B. Bd. 91 (2018) Heft 7 . - 159.
ISSN 1434-6036
DOI: https://doi.org/10.1140/epjb/e2018-90119-4