Zobrazeno 1 - 5
of 5
pro vyhledávání: '"Stephan Sagmeister"'
Publikováno v:
Chemical Physics. 325:3-8
The excitonic effects of biphenyl and 2,2′-bithiophene are investigated within an ab initio framework. For this purpose the Bethe–Salpeter equation for the two-particle Greens function is solved. Therefrom the imaginary part of the dielectric fun
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7631350e46ef194bbaf6e9ec0238022a
https://doi.org/10.1016/j.chemphys.2005.11.038
https://doi.org/10.1016/j.chemphys.2005.11.038
Autor:
Christian Meisenbichler, Dmitrii Nabok, Andris Gulans, Stephan Sagmeister, Pasquale Pavone, Stefan Kontur, Claudia Draxl, Ute Werner, Santiago Rigamonti
Publikováno v:
Journal of physics. Condensed matter : an Institute of Physics journal. 26(36)
Linearized augmented planewave methods are known as the most precise numerical schemes for solving the Kohn-Sham equations of density-functional theory (DFT). In this review, we describe how this method is realized in the all-electron full-potential
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::60af4410b5502c4d1229d42f8065e260
https://pubmed.ncbi.nlm.nih.gov/25135665
https://pubmed.ncbi.nlm.nih.gov/25135665
We present a comparative theoretical and experimental study of dynamic structure factors (momentum-dependent loss functions) of the noble metals Cu, Ag, and Au in the energy range of 0$-$60 eV. The emphasis is on theoretical results that are compared
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::37332eb6638a270cf25cd9569e7c8103
Publikováno v:
Physical chemistry chemical physics : PCCP. 11(22)
We perform first-principle calculations for the macroscopic dielectric function within an all-electron full-potential framework, i.e., the linearized augmented planewave (LAPW) method. To this extent we pursue two different routes, which are, on the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c82e5f004e1f1e6dbc5ceb9dbba11712
https://pubmed.ncbi.nlm.nih.gov/19475162
https://pubmed.ncbi.nlm.nih.gov/19475162
We analyze the momentum-dependent loss function of bulk silver, calculated via the random-phase approximation and based on the band structure from semi-local density functional theory calculations. In the energy range of 0-55 eV the spectrum reveals
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f47d2660473cd97b1f9089dda5b38cdd
https://infoscience.epfl.ch/record/152514
https://infoscience.epfl.ch/record/152514