Zobrazeno 1 - 10
of 113
pro vyhledávání: '"Proetto, C. R."'
Several semilocal exchange potentials usually employed in the framework of density-functional theory (DFT) are tested and compared with their exact counterpart, the exchange Optimized Effective Potential (OEP), as applied to the jellium-slab model of
Externí odkaz:
http://arxiv.org/abs/2202.07827
The asymptotics of the Kohn-Sham (KS) exact exchange potential $V_x(z)$ of a jelliumlike semi-infinite metal is investigated, in the framework of the optimized-effective-potential formalism of density-functional theory. Our numerical calculations cle
Externí odkaz:
http://arxiv.org/abs/2110.00902
Publikováno v:
Phys. Rev. B 99, 165136 (2019)
Density functional theory is generalized to incorporate electron-phonon coupling. A Kohn-Sham equation yielding the electronic density $n_U(\mathbf{r})$, a conditional probability density depending parametrically on the phonon normal mode amplitudes
Externí odkaz:
http://arxiv.org/abs/1901.07523
Autor:
Miravet, D., Proetto, C. R.
A strict bidimensional (strict-2D) exact-exchange (EE) formalism within the framework of density-functional theory (DFT) has been developed and applied to the case of an electron gas subjected to a strong perpendicular magnetic field, that drives the
Externí odkaz:
http://arxiv.org/abs/1803.00610
Publikováno v:
Journal of Chemical Physics; 10/28/2023, Vol. 159 Issue 16, p1-8, 8p
It is shown here that the Exact Exchange (EE) formalism provides a natural and rigorous approach for a Density Functional Theory (DFT) of the Integer Quantum Hall Effect (IQHE). Application of a novel EE method to a quasi two-dimensional electron gas
Externí odkaz:
http://arxiv.org/abs/1710.05082
Autor:
Benitez, A., Proetto, C. R.
Publikováno v:
Phys. Rev. A 94, 052506 (2016)
Using a simplified one-dimensional model of a diatomic molecule, the associated interacting density and corresponding Kohn-Sham potential have been obtained analytically for all fractional molecule occupancies $N$ between 0 and 2. For the homonuclear
Externí odkaz:
http://arxiv.org/abs/1609.07674
Autor:
Miravet, D., Proetto, C. R.
Publikováno v:
Phys. Rev. B 94, 085304 (2016)
When two Landau levels are brought to a close coincidence between them and with the chemical potential in the Integer Quantum Hall regime, the two Landau levels can just cross or collapse while the external or pseudospin field that induces the alignm
Externí odkaz:
http://arxiv.org/abs/1607.07909
Publikováno v:
Phys. Rev. B 93, 085305 (2016)
The ground-state electronic configuration of three coupled bidimensional electron gases has been determined using a variational Hartree-Fock approach, at zero magnetic field. The layers are Coulomb coupled, and tunneling is present between neighborin
Externí odkaz:
http://arxiv.org/abs/1511.01051
In the framework of density functional theory, scaling and the virial theorem are essential tools for deriving exact properties of density functionals. Preexisting mathematical difficulties in deriving the virial theorem via scaling for periodic syst
Externí odkaz:
http://arxiv.org/abs/1405.5703