Your browser doesn't support javascript.
loading
Mostrar: 20 | 50 | 100
Resultados 1 - 2 de 2
Filtrar
Mais filtros

Base de dados
Assunto principal
Ano de publicação
Tipo de documento
País de afiliação
Intervalo de ano de publicação
1.
Phys Rev Lett ; 118(26): 266801, 2017 Jun 30.
Artigo em Inglês | MEDLINE | ID: mdl-28707915

RESUMO

We have developed a Hartree-Fock theory for electrons on a honeycomb lattice aiming to solve a long-standing problem of the Fermi velocity renormalization in graphene. Our model employs no fitting parameters (like an unknown band cutoff) but relies on a topological invariant (crystal structure function) that makes the Hartree-Fock sublattice spinor independent of the electron-electron interaction. Agreement with the experimental data is obtained assuming static self-screening including local field effects. As an application of the model, we derive an explicit expression for the optical conductivity and discuss the renormalization of the Drude weight. The optical conductivity is also obtained via precise quantum Monte Carlo calculations which compares well to our mean-field approach.

2.
Biophys Chem ; 180-181: 95-101, 2013.
Artigo em Inglês | MEDLINE | ID: mdl-23911953

RESUMO

A hole transport through DNA base sequences was modeled. The fact that DNA consists of two polynucleotide strands was taken into consideration. Specific DNA base locations are determined in the model. The model predicts the behavior of a hole acting on the DNA chain, taking into account reversible and irreversible dynamics. It was shown that the transfer mechanisms depend on the sequence type and can be either of hopping nature or of superexchange one. Distance dependence of the hole transport relative rate on the number of hopping steps was investigated. The results obtained were compared with the experimental data. The investigation demonstrates the utilization of the formalism in practical problems for description of the charge migration through the different molecular sequences.


Assuntos
DNA/química , Pareamento de Bases , Sequência de Bases , DNA/metabolismo , Guanina/química , Cinética , Modelos Teóricos , Conformação de Ácido Nucleico
SELEÇÃO DE REFERÊNCIAS
DETALHE DA PESQUISA