Adiabatic and local approximations for the kohn-sham potential in the hubbard model


Autoria(s): Mancini, Lorenzo
Contribuinte(s)

Ortolani, Fabio

Data(s)

18/10/2013

Resumo

We obtain the exact time-dependent Kohn-Sham potentials Vks for 1D Hubbard chains, driven by a d.c. external field, using the time-dependent electron density and current density obtained from exact many-body time-evolution. The exact Vxc is compared to the adiabatically-exact Vad-xc and the “instantaneous ground state” Vigs-xc. The effectiveness of these two approximations is analyzed. Approximations for the exchange-correlation potential Vxc and its gradient, based on the local density and on the local current density, are also considered and both physical quantities are observed to be far outside the reach of any possible local approximation. Insight into the respective roles of ground-state and excited-state correlation in the time-dependent system, as reflected in the potentials, is provided by the pair correlation function.

Formato

application/pdf

Identificador

http://amslaurea.unibo.it/5935/1/Mancini_Lorenzo_Tesi.pdf

Mancini, Lorenzo (2013) Adiabatic and local approximations for the kohn-sham potential in the hubbard model. [Laurea magistrale], Università di Bologna, Corso di Studio in Fisica [LM-DM270] <http://amslaurea.unibo.it/view/cds/CDS8025/>

Relação

http://amslaurea.unibo.it/5935/

Direitos

info:eu-repo/semantics/openAccess

Palavras-Chave #Time-dependent density functional theory, Hubbard model, Adiabatic approximation, electronic correlation #scuola :: 843899 :: Scienze #cds :: 8025 :: Fisica [LM-DM270] #indirizzo :: 789 :: Curriculum C: Fisica della materia #sessione :: seconda
Tipo

PeerReviewed