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Frequency dependence in made simple using a multipole approximation

Articolo
Data di Pubblicazione:
2021
Abstract:
In the approximation, the screened interaction is a nonlocal and dynamical potential that usually has a complex frequency dependence. A full description of such a dependence is possible but often computationally demanding. For this reason, it is still common practice to approximate using a plasmon pole (PP) model. Such an approach, however, may deliver an accuracy limited by its simplistic description of the frequency dependence of the polarizability, i.e., of . In this work, we explore a multipole approach (MPA) and develop an effective representation of the frequency dependence of . We show that an appropriate sampling of the polarizability in the frequency complex plane and a multipole interpolation can lead to a level of accuracy comparable with full-frequency methods at a much lower computational cost. Moreover, both accuracy and cost are controllable by the number of poles used in MPA. Eventually, we validate the MPA approach in selected prototype systems, showing that full-frequency quality results can be obtained with a limited number of poles.
Tipologia CRIS:
01.01 Articolo in rivista
Keywords:
DYNAMIC-RESPONSE FUNCTION; QUASI-PARTICLE ENERGIES; SPACE-TIME METHOD; SELF-ENERGY; ANALYTIC-CONTINUATION; DIELECTRIC RESPONSE; OPTICAL-PROPERTIES; GREENS-FUNCTION; SEMICONDUCTORS; TRANSITION
Elenco autori:
Molinari, Elisa; LEON VALIDO, DARIO ALEJANDRO; Ferretti, Andrea; Varsano, Daniele; PEREIRA CARDOSO, CLAUDIA MARIA
Autori di Ateneo:
FERRETTI ANDREA
PEREIRA CARDOSO CLAUDIA MARIA
VARSANO DANIELE
Link alla scheda completa:
https://iris.cnr.it/handle/20.500.14243/441434
Pubblicato in:
PHYSICAL REVIEW. B
Journal
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