We show that the effective electron-electron interaction veff[n](r,r′)=erf|r-r′|b(n)/|r-r′|, with n being the electronic density and b(n) fixed from the compressibility sum rule, is remarkably accurate in both three and two dimensions, competing with the actual state-of-the-art exchange-correlation static kernels. Using this result, we propose a simple isotropic approximation for the quasi-two-dimensional regime, which gives a realistic wave vector analysis of the correlation energy, in the context of the linear response time-dependent density functional theory.

Simple effective interaction for dimensional crossover

Constantin L. A.
2016

Abstract

We show that the effective electron-electron interaction veff[n](r,r′)=erf|r-r′|b(n)/|r-r′|, with n being the electronic density and b(n) fixed from the compressibility sum rule, is remarkably accurate in both three and two dimensions, competing with the actual state-of-the-art exchange-correlation static kernels. Using this result, we propose a simple isotropic approximation for the quasi-two-dimensional regime, which gives a realistic wave vector analysis of the correlation energy, in the context of the linear response time-dependent density functional theory.
2016
Istituto per la Microelettronica e Microsistemi - IMM
exchange-correlation kernel, quasi-2d
File in questo prodotto:
Non ci sono file associati a questo prodotto.

I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.

Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/20.500.14243/517526
 Attenzione

Attenzione! I dati visualizzati non sono stati sottoposti a validazione da parte dell'ente

Citazioni
  • ???jsp.display-item.citation.pmc??? ND
  • Scopus 32
  • ???jsp.display-item.citation.isi??? ND
social impact