Výsledky vyhledávání - "Cesar Ramon Proetto"

Asymptotics of the metal-surface Kohn-Sham exact exchange potential revisited

Autor: Cesar Ramon Proetto, José María Pitarke, C. M. Horowitz

Publikováno v: Digital.CSIC. Repositorio Institucional del CSIC
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The asymptotics of the Kohn-Sham (KS) exact exchange potential Vx(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 clearly

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5072f11a04911cf8719a6a627fe73c13
https://doi.org/10.1103/physrevb.104.155108

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Performance of the spin-dependent Krieger-Li-Iafrate approximation in jellium slabs

Autor: Cesar Ramon Proetto, Santiago Rigamonti, C. M. Horowitz

Publikováno v: CONICET Digital (CONICET)
Consejo Nacional de Investigaciones Científicas y Técnicas
instacron:CONICET

The possible spin-polarized states of metallic jellium slabs have been studied by means of a Krieger-LiIafrate (KLI) approximation for the exchange potential. The stability of the different magnetic states has been determined by using a fixed-spin-mo

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e47fdd3feeb4e7f4624c02b90722aff1
https://doi.org/10.1103/physrevb.99.235111

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Exact factorization-based density functional theory of electron-phonon systems

Autor: E. K. U. Gross, Cesar Ramon Proetto, Ryan Requist

Publikováno v: Physical Review B
CONICET Digital (CONICET)
Consejo Nacional de Investigaciones Científicas y Técnicas
instacron:CONICET

Density functional theory is generalized to incorporate electron-phonon coupling. A Kohn-Sham equation yielding the electronic density nU(r), a conditional probability density depending parametrically on the phonon normal mode amplitudes U={Uqλ}, is

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::46fa3d66a2e84f88f0781ddc355635cd
https://hdl.handle.net/21.11116/0000-0009-1071-521.11116/0000-0009-1073-3

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Exact-exchange density functional theory of the integer quantum Hall effect: strict 2D limit

Autor: Cesar Ramon Proetto, D. Miravet

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: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d366e65365d8363a123866d44f8b27cc
http://arxiv.org/abs/1803.00610

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Asymptotic analysis of the Berry curvature in the E ⊗ e Jahn-Teller model

Autor: Ryan Requist, Cesar Ramon Proetto, E. K. U. Gross

Publikováno v: CONICET Digital (CONICET)
Consejo Nacional de Investigaciones Científicas y Técnicas
instacron:CONICET

The effective Hamiltonian for the linear E⊗e Jahn-Teller model describes the coupling between two electronic states and two vibrational modes in molecules or bulk crystal impurities. While in the Born-Oppenheimer approximation the Berry curvature h

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::07344bfe56722f00b3b5dff7b1ac44fc
https://link.aps.org/doi/10.1103/PhysRevA.96.062503

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Exact exchange: A pathway for a density functional theory of the integer quantum Hall effect

Autor: Cesar Ramon Proetto, Gerson J. Ferreira, D. Miravet

Publikováno v: CONICET Digital (CONICET)
Consejo Nacional de Investigaciones Científicas y Técnicas
instacron:CONICET

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 g

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::25b9fd4cb292a9fef369c734d8ff0eb4
https://iopscience.iop.org/article/10.1209/0295-5075/119/57001/meta

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Kohn-Sham potential for a strongly correlated finite system with fractional occupancy

Autor: Cesar Ramon Proetto, A. Benítez

Publikováno v: Physical Review A. 94

Using a simplified one-dimensional model of a diatomic molecule, the associated interacting density and corresponding Kohn-Sham (KS) potential have been obtained analytically for all fractional molecule occupancies $N$ between 0 and 2. For the homonu

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::31e0fdcd63e85d268442a6e7e075c69a
https://doi.org/10.1103/physreva.94.052506

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Coulomb and tunneling-coupled trilayer systems at zero magnetic field

Autor: P. G. Bolcatto, D. Miravet, Cesar Ramon Proetto

Publikováno v: CONICET Digital (CONICET)
Consejo Nacional de Investigaciones Científicas y Técnicas
instacron:CONICET

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: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::dce4c1f0d952bd333be6dfd6011109db
http://journals.aps.org/prb/abstract/10.1103/PhysRevB.93.085305

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Pseudospin anisotropy of trilayer semiconductor quantum Hall ferromagnets

Autor: Cesar Ramon Proetto, D. Miravet

Publikováno v: CONICET Digital (CONICET)
Consejo Nacional de Investigaciones Científicas y Técnicas
instacron:CONICET

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: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ed9ec87fc94383639b3be23b23102f34

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Spin-dependent Optimized Effective Potential formalism for open and closed systems

Autor: Cesar Ramon Proetto, C. M. Horowitz, Santiago Rigamonti

Publikováno v: CONICET Digital (CONICET)
Consejo Nacional de Investigaciones Científicas y Técnicas
instacron:CONICET

Orbital-based exchange (x) correlation (c) energy functionals, leading to the Optimized Effective Potential (OEP) formalism of density-functional theory (DFT), are gaining increasing importance in ground-stateDFT, as applied to the calculation of the

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ab3b4c52a2e3efcb42fb9f21cdb87ff7
http://journals.aps.org/prb/abstract/10.1103/PhysRevB.92.235145

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